2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

Modify Date: 2024-01-19 18:00:13

2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl- structure	Common Name	2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-
	CAS Number	3967-01-9	Molecular Weight	176.22
	Density	1.084g/cm3	Boiling Point	370.3ºC at 760mmHg
	Molecular Formula	C₁₀H₁₂N₂O	Melting Point	180ºC
	MSDS	N/A	Flash Point	167.9ºC

Use of 2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

(Rac)-CPI-098 shows antibacterial activity. (Rac)-CPI-098 exhibits superior anti-fungal activity against Monascus ruber, better activity against Aspergillus fumigates, good activity against Aspergillus niger and Aspergillus parasites and moderate activity against Candida albicans[1].

Name	2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Synonym	More Synonyms

Description	(Rac)-CPI-098 shows antibacterial activity. (Rac)-CPI-098 exhibits superior anti-fungal activity against Monascus ruber, better activity against Aspergillus fumigates, good activity against Aspergillus niger and Aspergillus parasites and moderate activity against Candida albicans[1].
Related Catalog	Research Areas >> Infection Signaling Pathways >> Anti-infection >> Fungal Signaling Pathways >> Anti-infection >> Bacterial
References	[1]. Akila A, et al. Synthesis, Characterization, Stereochemistry and Antimicrobial Evaluation of N-Acyltetrahydrobenzodiazepin-2-ones[J]. Asian Journal of Chemistry, 2020, 32(5):1007-1014.

Density	1.084g/cm3
Boiling Point	370.3ºC at 760mmHg
Melting Point	180ºC
Molecular Formula	C₁₀H₁₂N₂O
Molecular Weight	176.22
Flash Point	167.9ºC
Exact Mass	176.09500
PSA	41.13000
LogP	2.10520
Index of Refraction	1.526

MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF2745000

CHEMICAL NAME :: 1H-1,5-Benzodiazepin-2-one, 2,3,4,5-tetrahydro-4-methyl-

CAS REGISTRY NUMBER :: 3967-01-9

BEILSTEIN REFERENCE NO. :: 0166063

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H12-N2-O

MOLECULAR WEIGHT :: 176.24

WISWESSER LINE NOTATION :: T67 GMV KM&TJ J1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1440 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 31,615,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1042 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 31,615,1979

Hazard Codes	Xi
HS Code	2933990090

N/A

CAS#:1407835-19-1

~40%

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: CONSTELLATION PHARMACEUTICALS, INC.; ALBRECHT, Brian, K.; GEHLING, Victor, S.; HEWITT, Michael, C.; TAYLOR, Alexander, M.; HARMANGE, Jean-Christophe Patent: WO2012/151512 A2, 2012 ; Location in patent: Page/Page column 178 ;

Crotonic acid

CAS#:3724-65-0

o-Phenylenediamine

CAS#:95-54-5

~90%

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: Kidwai; Ruby; Venkataramanan Chemistry of Heterocyclic Compounds, 2004 , vol. 40, # 5 p. 631 - 634

1-(2-BUTENOYL)-...

CAS#:55889-32-2

o-Phenylenediamine

CAS#:95-54-5

~80%

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: Wang, Xiaoxia; Li, Zhifang; Zhu, Xiangming; Mao, Hui; Zou, Xuefei; Kong, Lichun; Li, Xinsheng Tetrahedron, 2008 , vol. 64, # 27 p. 6510 - 6521

Crotonic acid

CAS#:107-93-7

o-Phenylenediamine

CAS#:95-54-5

~70%

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: Cohen; Jin; Reba Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 3 p. 835 - 837

ethyl 3-(2-nitr...

CAS#:1407835-16-8

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: WO2012/151512 A2, ;

2H-1,5-Benzodia...

CAS#:6276-48-8

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: Chemische Berichte, , vol. 90, p. 815,822

o-Phenylenediamine

CAS#:95-54-5

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: Chemische Berichte, , vol. 92, p. 2902,2912

Precursor 6
CAS#:3724-65-0 Crotonic acid CAS#:95-54-5 o-Phenylenediamine CAS#:55889-32-2 1-(2-BUTENOYL)-... CAS#:107-93-7 Crotonic acid
CAS#:1407835-16-8 ethyl 3-(2-nitr... CAS#:6276-48-8 2H-1,5-Benzodia...
DownStream 1
CAS#:74389-71-2 2-methyl-1,2,3,...

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one

4-methyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

4-METHYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-2-ONE

4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one

4-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-on

4-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one

1H-1,5-BENZODIAZEPIN-2-ONE,2,3,4,5-TETRAHYDRO-4-METHYL

1,3,4,5-tetrahydro-4-methyl-1,5-benzodiazepin-2-one

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

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2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

Use of 2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

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