Methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

Base Information

Chemical Name:Methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate
CAS No.:194093-64-6
Molecular Formula:C₂₆H₂₆ClF₃N₂O₅
Molecular Weight:538.951
Hs Code.:
DSSTox Substance ID:DTXSID101099582

Synonyms:methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate;SCHEMBL7470902;DTXSID101099582;194093-64-6;Benzo[1,2-b:4,3-ba(2)]dipyrrole-1,6(3H)-dicarboxylic acid, 8-(chloromethyl)-7,8-dihydro-4-(phenylmethoxy)-2-(trifluoromethyl)-, 6-(1,1-dimethylethyl) 1-methyl ester

Suppliers and Price of Methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

Supply Marketing:

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

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Chemical Property of Methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

Chemical Property:

XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:538.1482341
Heavy Atom Count:37
Complexity:832

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CC(C2=C3C(=C(NC3=C(C=C21)OCC4=CC=CC=C4)C(F)(F)F)C(=O)OC)CCl

Technology Process of Methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

There total 5 articles about Methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-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: 99.0%

: 194093-63-5
methyl 5-benzyloxy-3-t-butoxycarbonyl-1-hydroxymethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

: 194093-64-6
methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

Guidance literature:: With tetrachloromethane; triphenylphosphine; In acetonitrile; for 5h; Ambient temperature;
DOI:10.1016/S0960-894X(97)00288-6

Reference yield:

: 132628-60-5
3-acetoxymethyl-5-amino-6-benzyloxy-1-t-butoxycarbonyl-2,3-dihydro-1H-indole

: 194093-64-6
methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / methanol / 1 h / 0 - 20 °C

2: 58 percent / Pd(OAc)2, DMA / 3.5 h / 70 °C

3: 99 percent / K₂CO₃ / methanol / 7 h / 0 - 20 °C

4: 99 percent / PPh₃, CCl₄ / acetonitrile / 5 h / Ambient temperature

With tetrachloromethane; palladium diacetate; 2,4-dichlorophenoxyacetic acid dimethylamine; potassium carbonate; triphenylphosphine; In methanol; acetonitrile;
DOI:10.1016/S0960-894X(97)00288-6

Reference yield:

: 70577-95-6
methyl 4,4,4-trifluoro-2-butynoate

: 194093-64-6
methyl 5-benzyloxy-3-t-butoxycarbonyl-1-chloromethyl-7-trifluoromethyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-8-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / methanol / 1 h / 0 - 20 °C

2: 58 percent / Pd(OAc)2, DMA / 3.5 h / 70 °C

3: 99 percent / K₂CO₃ / methanol / 7 h / 0 - 20 °C

4: 99 percent / PPh₃, CCl₄ / acetonitrile / 5 h / Ambient temperature

With tetrachloromethane; palladium diacetate; 2,4-dichlorophenoxyacetic acid dimethylamine; potassium carbonate; triphenylphosphine; In methanol; acetonitrile;
DOI:10.1016/S0960-894X(97)00288-6