Tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Base Information

Chemical Name:Tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate
CAS No.:261763-56-8
Molecular Formula:C27H29ClN2O4
Molecular Weight:480.991
Hs Code.:
DSSTox Substance ID:DTXSID001108205
Nikkaji Number:J1.297.612G

Synonyms:DTXSID001108205;261763-56-8;1,1-Dimethylethyl 7-(acetylamino)-1-(chloromethyl)-1,2-dihydro-5-(phenylmethoxy)-3H-benz[e]indole-3-carboxylate

Suppliers and Price of Tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Chemical Property:

XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:480.1815851
Heavy Atom Count:34
Complexity:720

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)OC(C)(C)C)CCl)OCC4=CC=CC=C4

Technology Process of Tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

There total 5 articles about Tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate 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: 92.0%

: 75-36-5
acetyl chloride

: 286374-31-0
7-amino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

: 261763-56-8
7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

Guidance literature:: With triethylamine; In tetrahydrofuran; at 0 ℃; for 3h;
DOI:10.1016/S0968-0896(00)00088-2

Reference yield: 46.0%

: 75-36-5
acetyl chloride

: 286374-28-5
(6-amino-4-benzyloxy-1-iodo-naphthalen-2-yl)-(3-chloro-allyl)-carbamic acid tert-butyl ester

: 286374-42-3
N-(5-benzyloxy-1-chloromethyl-2,3-dihydro-1H-benzo[e]indol-7-yl)-acetamide

: 261763-56-8
7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

Guidance literature:: Multistep reaction;

Reference yield:

: 222835-56-5
5-(benzyloxy)-3-(tert-butyloxycarbonyl)-1-chloromethyl-7-(9-fluorenylmethyloxy-carbonylamino)-1,2-dihydro-3H-benz[e]indole

: 261763-56-8
7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / TBAF / tetrahydrofuran / 1 h / 23 °C

2: 92 percent / Et₃N / tetrahydrofuran / 3 h / 0 °C

With tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran; 1: Substitution / 2: Acetylation;
DOI:10.1016/S0968-0896(00)00088-2