Methyl 7-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-2,3,4,5-tetrahydro-3-oxo-4-(2-phenylethyl)-1H-1,4-benzodiazepine-2-acetate

Base Information

Chemical Name:Methyl 7-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-2,3,4,5-tetrahydro-3-oxo-4-(2-phenylethyl)-1H-1,4-benzodiazepine-2-acetate
CAS No.:292135-38-7
Molecular Formula:C₂₈H₂₉N₅O₄
Molecular Weight:499.569
Hs Code.:
DSSTox Substance ID:DTXSID601102786

Synonyms:DTXSID601102786;292135-38-7;Methyl 7-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-2,3,4,5-tetrahydro-3-oxo-4-(2-phenylethyl)-1H-1,4-benzodiazepine-2-acetate

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Chemical Property of Methyl 7-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-2,3,4,5-tetrahydro-3-oxo-4-(2-phenylethyl)-1H-1,4-benzodiazepine-2-acetate

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:499.22195442
Heavy Atom Count:37
Complexity:821

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4

Technology Process of Methyl 7-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-2,3,4,5-tetrahydro-3-oxo-4-(2-phenylethyl)-1H-1,4-benzodiazepine-2-acetate

There total 14 articles about Methyl 7-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-2,3,4,5-tetrahydro-3-oxo-4-(2-phenylethyl)-1H-1,4-benzodiazepine-2-acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 171049-45-9
[7-(4-{Amino-[(Z)-benzyloxycarbonylimino]-methyl}-phenylcarbamoyl)-3-oxo-4-phenethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid methyl ester

: 292135-38-7
[7-(4-Carbamimidoyl-phenylcarbamoyl)-3-oxo-4-phenethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid methyl ester

Guidance literature:: With hydrogen; trifluoroacetic acid; palladium on activated charcoal; In methanol; ethyl acetate;
DOI:10.1021/jm00001a003

Reference yield:

: 3113-71-1
3-methyl-4-nitrobenzoic acid

: 292135-38-7
[7-(4-Carbamimidoyl-phenylcarbamoyl)-3-oxo-4-phenethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 12 steps

1: 82 percent / PhSO₂Cl, pyridine

2: N-bromosuccinimide, (PhCO₂)2 / CCl₄ / Heating

3: NaHCO₃ / tetrahydrofuran

4: 100 percent / CH₂Cl₂

5: 91 percent / H₂ / Pd/C / ethyl acetate

6: methanol

7: H₂ / 10percent Pd/C

8: trifluoroacetic acid / CH₂Cl₂

9: 87 percent / CH₃ONa / methanol

10: SOCl₂ / Heating

11: 70 percent / pyridine / CH₂Cl₂

12: H₂, TFA / Pd/C / ethyl acetate; methanol

With pyridine; N-Bromosuccinimide; thionyl chloride; hydrogen; sodium methylate; sodium hydrogencarbonate; benzenesulfonyl chloride; trifluoroacetic acid; dibenzoyl peroxide; palladium on activated charcoal; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; ethyl acetate;
DOI:10.1021/jm00001a003

Reference yield:

: 64-04-0
phenethylamine

: 292135-38-7
[7-(4-Carbamimidoyl-phenylcarbamoyl)-3-oxo-4-phenethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 10 steps

1: NaHCO₃ / tetrahydrofuran

2: 100 percent / CH₂Cl₂

3: 91 percent / H₂ / Pd/C / ethyl acetate

4: methanol

5: H₂ / 10percent Pd/C

6: trifluoroacetic acid / CH₂Cl₂

7: 87 percent / CH₃ONa / methanol

8: SOCl₂ / Heating

9: 70 percent / pyridine / CH₂Cl₂

10: H₂, TFA / Pd/C / ethyl acetate; methanol

With pyridine; thionyl chloride; hydrogen; sodium methylate; sodium hydrogencarbonate; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate;
DOI:10.1021/jm00001a003