1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate

Base Information

Chemical Name:1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate
CAS No.:220499-11-6
Molecular Formula:C₁₅H₁₇NO₄
Molecular Weight:275.304
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30478576
Wikidata:Q82312055
Mol file:220499-11-6.mol

Synonyms:220499-11-6;1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate;Methyl 1-BOC-indole-4-carboxylate;1-(TERT-BUTYL) 4-METHYL 1H-INDOLE-1,4-DICARBOXYLATE;1-O-tert-butyl 4-O-methyl indole-1,4-dicarboxylate;O1-tert-Butyl O4-methyl indole-1,4-dicarboxylate;MFCD09834880;1-tert-butyl 4-methyl indole-1,4-dicarboxylate;1-tert-Butyl4-methyl1H-indole-1,4-dicarboxylate;SCHEMBL760556;DTXSID30478576;HLGNJZVTHXMEHU-UHFFFAOYSA-N;Methyl 1-Boc-4-indolecarboxylate;VIA49911;AKOS015836986;AS-43914;SY287110;CS-0112207;FT-0684871;A878767;W-206721;1-(tert-butyl) 4-methyl 1H-1,4-indoledicarboxylate;1-O-tert-butyl 4-O-methyl indole-1, 4-dicarboxylate;indole-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester

Suppliers and Price of 1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate

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
Packaging
price

Crysdot
1-tert-Butyl4-methyl1H-indole-1,4-dicarboxylate 95+%
10g
$ 434.00

Chemenu
1-tert-Butyl4-methyl1H-indole-1,4-dicarboxylate 95%
10g
$ 410.00

American Custom Chemicals Corporation
METHYL-1-BOC-INDOLE-4-CARBOXYLATE 95.00%
5MG
$ 497.81

Alichem
1-tert-Butyl4-methyl1H-indole-1,4-dicarboxylate
5g
$ 603.90

AK Scientific
Methyl1-BOC-indole-4-carboxylate
5g
$ 451.00

AK Scientific
Methyl1-BOC-indole-4-carboxylate
1g
$ 151.00

Total 13 raw suppliers

Chemical Property of 1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate

Chemical Property:

PSA：57.53000
LogP:3.21110
Storage Temp.:Room temperature.
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:275.11575802
Heavy Atom Count:20
Complexity:388

Purity/Quality:

99%, ^*data from raw suppliers

1-tert-Butyl4-methyl1H-indole-1,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C(=O)OC

Technology Process of 1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate

There total 5 articles about 1-tert-Butyl 4-methyl 1H-indole-1,4-dicarboxylate 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: 100.0%

: 39830-66-5
methyl 1H-indole-4-carboxylate

: 24424-99-5
di-tert-butyl dicarbonate

: 220499-11-6
1-(tert-butyl) methyl 1H-1,4-indoledicarboxylate

Guidance literature:: With dmap; In acetonitrile; for 12h; Ambient temperature;
DOI:10.1016/S0957-4166(98)00445-5

Reference yield: 100.0%

: 39830-66-5
methyl 1H-indole-4-carboxylate

: 24424-99-5
di-tert-butyl dicarbonate

: 220499-11-6
1-(tert-butyl) methyl 1H-1,4-indoledicarboxylate

Guidance literature:: dmap; In acetonitrile; for 16h;

Reference yield:

: 59382-59-1
2-methyl-3-nitro-benzoic acid methyl ester

: 220499-11-6
1-(tert-butyl) methyl 1H-1,4-indoledicarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: dimethylformamide / 12 h / 120 °C

2: H₂ / 10 percent Pd/C / benzene / 12 h / 2844.31 Torr / Ambient temperature

3: 100 percent / DMAP / acetonitrile / 12 h / Ambient temperature

With dmap; hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide; acetonitrile; benzene;
DOI:10.1016/S0957-4166(98)00445-5