Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester

Base Information

Chemical Name:Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
CAS No.:134106-77-7
Molecular Formula:C31H33BrN4O8
Molecular Weight:669.5197
Hs Code.:
DSSTox Substance ID:DTXSID70928449
Mol file:134106-77-7.mol

Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester

Synonyms:134106-77-7;Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester;C31H33BrN4O8;DTXSID70928449;C31-H33-Br-N4-O8;LS-34813;Methyl 8-(bromomethyl)-2-methyl-4-[(pyrrolidine-1-carbonyl)oxy]-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate

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Chemical Property of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester

Chemical Property:

Vapor Pressure:7.26E-27mmHg at 25°C
Boiling Point:818.2°C at 760 mmHg
Flash Point:448.6°C
Density:1.503g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:668.14818
Heavy Atom Count:44
Complexity:1080

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C3C(CN(C3=CC(=C2N1)OC(=O)N4CCCC4)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC

Technology Process of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester

There total 4 articles about Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester 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:

: 123-75-1
pyrrolidine

: (S)-8-Bromomethyl-2-methyl-4-(4-nitro-phenoxycarbonyloxy)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydro-pyrrolo[3,2-e]indole-1-carboxylic acid methyl ester

: 134106-77-7
3-methoxycarbonyl-2-methyl-8-O-pyrrolidinylcarbonylduocarmycin B2

Guidance literature:: In dichloromethane; water; at 0 ℃; for 1h; Yield given;
DOI:10.1248/cpb.44.1723

Reference yield:

: 153925-97-4,134106-68-6
3-methoxycarbonyl-2-methylduocarmycin A

: 134106-77-7
3-methoxycarbonyl-2-methyl-8-O-pyrrolidinylcarbonylduocarmycin B2

Guidance literature:: Multi-step reaction with 3 steps

1: hydrobromic acid / acetonitrile / 2 h / 20 °C

2: Et₃N / CH₂Cl₂ / 0.5 h / -78 °C

3: CH₂Cl₂ / 1 h / 0 °C

With hydrogen bromide; triethylamine; In dichloromethane; acetonitrile; 1: Addition / 2: Substitution / 3: Substitution;
DOI:10.1007/BF02317808

Reference yield:

: 205652-14-8
(S)-8-Bromomethyl-4-hydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydro-pyrrolo[3,2-e]indole-1-carboxylic acid methyl ester

: 134106-77-7
3-methoxycarbonyl-2-methyl-8-O-pyrrolidinylcarbonylduocarmycin B2

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0.5 h / -78 °C

2: CH₂Cl₂ / 1 h / 0 °C

With triethylamine; In dichloromethane; 1: Substitution / 2: Substitution;
DOI:10.1007/BF02317808