3-tert-Butyl 2-methyl 4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate

Base Information

Chemical Name:3-tert-Butyl 2-methyl 4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate
CAS No.:188990-13-8
Molecular Formula:C17H23NO4
Molecular Weight:305.36900
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70454435
Nikkaji Number:J826.425B
Mol file:188990-13-8.mol

Synonyms:188990-13-8;3-tert-Butyl 2-methyl 4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate;3-O-tert-butyl 4-O-methyl 1,2,4,5-tetrahydro-3-benzazepine-3,4-dicarboxylate;DTXSID70454435;3-tert-Butyl2-methyl4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate;E87668;3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-2-carboxylic acid methyl ester

Suppliers and Price of 3-tert-Butyl 2-methyl 4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-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
3-tert-Butyl2-methyl4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate 95+%
1g
$ 772.00

Chemenu
3-(tert-butyl)2-methyl1,2,4,5-tetrahydro-3H-benzo[d]azepine-2,3-dicarboxylate 95%
1g
$ 729.00

American Custom Chemicals Corporation
3-TERT-BUTYL-2-METHYL-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-2,3(2H)-DICARBOXYLATE 95.00%
5MG
$ 497.56

Alichem
3-tert-Butyl2-methyl4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate
1g
$ 678.24

Total 8 raw suppliers

Chemical Property of 3-tert-Butyl 2-methyl 4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate

Chemical Property:

PSA：55.84000
Density:1.131
LogP:2.50180
Storage Temp.:2-8°C
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:305.16270821
Heavy Atom Count:22
Complexity:415

Purity/Quality:

99% ^*data from raw suppliers

3-tert-Butyl2-methyl4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-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)N1CCC2=CC=CC=C2CC1C(=O)OC

Technology Process of 3-tert-Butyl 2-methyl 4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-dicarboxylate

There total 8 articles about 3-tert-Butyl 2-methyl 4,5-dihydro-1H-benzo[d]azepine-2,3(2H)-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: 98.0%

: 188990-01-4
2-Methoxycarbonyl-3-(tert-butoxycarbonyl)-4,5-dihydro-3H-3-benzazepine

: 188990-13-8
2-Methoxycarbonyl-3-(tert-butoxycarbonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 24h;

Reference yield: 73.0%

: 188990-04-7
2-{tert-Butoxycarbonyl-[2-(2-iodo-phenyl)-ethyl]-amino}-acrylic acid methyl ester

: 188990-13-8
2-Methoxycarbonyl-3-(tert-butoxycarbonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 1h; Heating;

Reference yield:

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

: 188990-13-8
2-Methoxycarbonyl-3-(tert-butoxycarbonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 4 steps

1: CH₂Cl₂ / 1.) ice-bath, 15 min, 2.) r.t., 20 h

2: TsCl, Et₃N / CH₂Cl₂ / 12 h / Ambient temperature

3: 59 percent / Bu₄NCl, NaHCO₃, 3 Angstroem molecular sieves / Pd(OAc)2 / dimethylformamide / 1.) r.t., 30 min, 2.) 110 deg C, 16 h

4: 98 percent / H₂ / 10percent Pd/C / methanol / 24 h

With 3 A molecular sieve; tetrabutyl-ammonium chloride; hydrogen; sodium hydrogencarbonate; triethylamine; p-toluenesulfonyl chloride; palladium diacetate; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;