3-(tert-Butoxycarbonyl)benzoic acid

Modify Date: 2025-08-25 14:11:27

3-(tert-Butoxycarbonyl)benzoic acid Structure
3-(tert-Butoxycarbonyl)benzoic acid structure
 Common Name 3-(tert-Butoxycarbonyl)benzoic acid
CAS Number 168162-30-9 Molecular Weight 222.237
Density 1.2±0.1 g/cm3 Boiling Point 357.6±25.0 °C at 760 mmHg
Molecular Formula C13H17NO4 Melting Point N/A
MSDS N/A Flash Point 135.5±16.7 °C

 Names

Name 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 357.6±25.0 °C at 760 mmHg
Molecular Formula C13H17NO4
Molecular Weight 222.237
Flash Point 135.5±16.7 °C
Exact Mass 222.089203
PSA 66.84000
LogP 3.06
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.533

 Synthetic Route

BOC-3-AMINOBENZOIC ACID structure

BOC-3-AMINOBENZ...

CAS#:111331-82-9

~79%

3-(tert-Butoxycarbonyl)benzoic acid Structure

3-(tert-Butoxyc...

CAS#:168162-30-9

Literature: Ferring-Research Limited; Yamanouchi Pharmaceutical Co. Ltd. Patent: US5728829 A1, 1998 ;
methyl 3-(N-tert-butoxycarbonyl-N-methyl)aminobenzoate structure

methyl 3-(N-ter...

CAS#:168162-31-0

~%

3-(tert-Butoxycarbonyl)benzoic acid Structure

3-(tert-Butoxyc...

CAS#:168162-30-9

Literature: Japan Tobacco Inc. Patent: US2006/35939 A1, 2006 ; Location in patent: Page/Page column 19 ;
Di-tert-butyl dicarbonate structure

Di-tert-butyl d...

CAS#:24424-99-5

~%

3-(tert-Butoxycarbonyl)benzoic acid Structure

3-(tert-Butoxyc...

CAS#:168162-30-9

Literature: Semple, Graeme; Ryder, Hamish; Rooker, David P.; Batt, Andrzej R.; Kendrick, David A.; Szelke, Michael; Ohta, Mitsuaki; Satoh, Masato; Nishida, Akito; Akuzawa, Shinobu; Miyata, Keiji Journal of Medicinal Chemistry, 1997 , vol. 40, # 3 p. 331 - 341
3-Aminobenzoic acid structure

3-Aminobenzoic acid

CAS#:99-05-8

~%

3-(tert-Butoxycarbonyl)benzoic acid Structure

3-(tert-Butoxyc...

CAS#:168162-30-9

Literature: Semple, Graeme; Ryder, Hamish; Rooker, David P.; Batt, Andrzej R.; Kendrick, David A.; Szelke, Michael; Ohta, Mitsuaki; Satoh, Masato; Nishida, Akito; Akuzawa, Shinobu; Miyata, Keiji Journal of Medicinal Chemistry, 1997 , vol. 40, # 3 p. 331 - 341
Di-tert-butyl dicarbonate structure

Di-tert-butyl d...

CAS#:24424-99-5

3-(Methylamino)benzoic acid structure

3-(Methylamino)...

CAS#:51524-84-6

~%

3-(tert-Butoxycarbonyl)benzoic acid Structure

3-(tert-Butoxyc...

CAS#:168162-30-9

Literature: Deberardinis, Albert M.; Banerjee, Upasana; Hadden, M. Kyle ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 7 p. 590 - 595
BOC-3-AMINOBENZOIC ACID structure

BOC-3-AMINOBENZ...

CAS#:111331-82-9

methyl iodide structure

methyl iodide

CAS#:74-88-4

~%

3-(tert-Butoxycarbonyl)benzoic acid Structure

3-(tert-Butoxyc...

CAS#:168162-30-9

Literature: Semple, Graeme; Ryder, Hamish; Rooker, David P.; Batt, Andrzej R.; Kendrick, David A.; Szelke, Michael; Ohta, Mitsuaki; Satoh, Masato; Nishida, Akito; Akuzawa, Shinobu; Miyata, Keiji Journal of Medicinal Chemistry, 1997 , vol. 40, # 3 p. 331 - 341

 Synonyms

3-{[(2-Methyl-2-propanyl)oxy]carbonyl}benzoic acid
3-[N-(tert-butyloxycarbonyl)methylamino]benzoic acid
3-(tert-Butoxycarbonyl)benzoic acid
3-(N-Boc-N-methylamino)benzoic acid
3-(tert-butoxycarbonylaminomethyl)benzoic acid
3-(N-tert-butoxylcarbonyl-N-methylamino)benzoic acid
3-(N-tert-butoxycarbonyl-N-methyl)aminobenzoic acid
1,3-Benzenedicarboxylic acid, mono(1,1-dimethylethyl) ester
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