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

Modify Date: 2025-08-25 13:09:12

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

 Names

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

  Biological Activity

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
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.

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

Ethyl 3-(2-aminophenylamino)butanoate structure

Ethyl 3-(2-amin...

CAS#:1407835-19-1

~40%

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

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 structure

Crotonic acid

CAS#:3724-65-0

o-Phenylenediamine structure

o-Phenylenediamine

CAS#:95-54-5

~90%

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

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)-1H-BENZOTRIAZOLE structure

1-(2-BUTENOYL)-...

CAS#:55889-32-2

o-Phenylenediamine structure

o-Phenylenediamine

CAS#:95-54-5

~80%

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

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 structure

Crotonic acid

CAS#:107-93-7

o-Phenylenediamine structure

o-Phenylenediamine

CAS#:95-54-5

~70%

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

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-nitrophenylamino)butanoate structure

ethyl 3-(2-nitr...

CAS#:1407835-16-8

~%

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

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: WO2012/151512 A2, ;
2H-1,5-Benzodiazepin-2-one,1,3-dihydro-4-methyl structure

2H-1,5-Benzodia...

CAS#:6276-48-8

~%

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

2H-1,5-Benzodia...

CAS#:3967-01-9

Literature: Chemische Berichte, , vol. 90, p. 815,822
o-Phenylenediamine structure

o-Phenylenediamine

CAS#:95-54-5

~%

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

2H-1,5-Benzodia...

CAS#:3967-01-9

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

 Customs

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%

 Bioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) ...
Source: ChEMBL
Target: CREB-binding protein
External Id: CHEMBL3817157
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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 Synonyms

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
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Chemsrc provides CAS#:3967-01-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl>> amp version: 2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl

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