tert-Butyl N-(4-hydroxycyclohexyl)carbamate

Modify Date: 2024-01-09 13:43:54

tert-Butyl N-(4-hydroxycyclohexyl)carbamate Structure
tert-Butyl N-(4-hydroxycyclohexyl)carbamate structure
Common Name tert-Butyl N-(4-hydroxycyclohexyl)carbamate
CAS Number 224309-64-2 Molecular Weight 215.289
Density 1.06±0.1 g/cm3 Boiling Point 337.7±31.0 °C at 760 mmHg
Molecular Formula C11H21NO3 Melting Point N/A
MSDS N/A Flash Point 158.0±24.8 °C

 Names

Name trans-N-4-Boc-aminocyclohexanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.06±0.1 g/cm3
Boiling Point 337.7±31.0 °C at 760 mmHg
Molecular Formula C11H21NO3
Molecular Weight 215.289
Flash Point 158.0±24.8 °C
Exact Mass 215.152145
PSA 58.56000
LogP 1.47
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.485
Water Solubility Slightly soluble (7.5 g/L) (25 ºC)

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: (4-Hydroxy-cyclohexyl)-carbamic acid tert-butyl ester
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H400:Very toxic to aquatic life
P273:Avoid release to the environment

Section3. Composition/information on ingredients.
Ingredient name:(4-Hydroxy-cyclohexyl)-carbamic acid tert-butyl ester
CAS number:224309-64-2

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, refrigerated.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C11H21NO3
Molecular weight: 215.3

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi

 Synthetic Route

~79%

tert-Butyl N-(4-hydroxycyclohexyl)carbamate Structure

tert-Butyl N-(4...

CAS#:224309-64-2

Literature: AGIOS PHARMACEUTICALS, INC.; Popovici-Muller, Janeta; SAUNDERS, Jeffrey, O.; SALITURO, Francesco, G.; CAI, Zhenwei; YAN, Shunqi; ZHOU, Ding Patent: WO2013/107405 A1, 2013 ; Location in patent: Page/Page column 48-49 ;

~95%

tert-Butyl N-(4-hydroxycyclohexyl)carbamate Structure

tert-Butyl N-(4...

CAS#:224309-64-2

Literature: Sumitomo Pharmaceuticals Company, Limited Patent: EP1403255 A1, 2004 ; Location in patent: Page 71 ; EP 1403255 A1

~97%

tert-Butyl N-(4-hydroxycyclohexyl)carbamate Structure

tert-Butyl N-(4...

CAS#:224309-64-2

Literature: Showa Denko K.K. Patent: US5166403 A1, 1992 ;

~%

tert-Butyl N-(4-hydroxycyclohexyl)carbamate Structure

tert-Butyl N-(4...

CAS#:224309-64-2

Literature: WO2004/43962 A1, ; Page 37 ;

~%

tert-Butyl N-(4-hydroxycyclohexyl)carbamate Structure

tert-Butyl N-(4...

CAS#:224309-64-2

Literature: US5726172 A1, ; US 5726172 A

~%

tert-Butyl N-(4-hydroxycyclohexyl)carbamate Structure

tert-Butyl N-(4...

CAS#:224309-64-2

Literature: US2013/190249 A1, ; Page/Page column ;

 Synonyms

N-4-Boc-aminocyclohexanol
4-(Boc-amino)cyclohexanol
tert-Butyl (trans-4-hydroxycyclohexyl)carbamate
tert-butyl (4-hydroxycyclohexyl)carbamate
Carbamic acid, N-(4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester
4-N-BOC-AMINO-CYCLOHEXANOL
2-Methyl-2-propanyl (4-hydroxycyclohexyl)carbamate
4-(tert-Butoxycarbonylamino)cyclohexanol
BOC-TRANS-4-AMINOCYCLOHEXANOL
tert-Butyl 4-hydroxycyclohexylcarbaMate
(4-Hydroxycyclohexyl)carbamic Acid tert-Butyl Ester
trans-4-(tert-ButoxycarbonylaMino)cyclohexanol
(4-Hydroxycyclohexyl)carbaMic Acid 1,1-DiMethylethyl Ester
N-tert-butyloxycarbonyl-trans-4-aminocyclohexanol
tert-butyl cyclohexylcarbaMate
tert-Butyl N-(4-hydroxycyclohexyl)carbamate
Carbamic acid,N-(4-hydroxycyclohexyl)-, 1,1-dimethylethyl ester