Tert-butyl 8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate

Base Information

Chemical Name:Tert-butyl 8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS No.:138350-93-3
Molecular Formula:C14H18ClNO2
Molecular Weight:267.75100
Hs Code.:2933499090
DSSTox Substance ID:DTXSID50568408
Mol file:138350-93-3.mol

Synonyms:138350-93-3;TERT-BUTYL 8-CHLORO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE;tert-butyl 8-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate;DTXSID50568408;AKOS022187539;AB50322;A908160;TERT-BUTYL8-CHLORO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

Suppliers and Price of Tert-butyl 8-chloro-3,4-dihydroisoquinoline-2(1H)-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
Packaging
price

Crysdot
tert-Butyl8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate 95+%
1g
$ 491.00

Chemenu
tert-butyl8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate 95%
1g
$ 464.00

American Custom Chemicals Corporation
TERT-BUTYL-8-CHLORO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE 95.00%
5MG
$ 499.22

Alichem
tert-Butyl8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate
1g
$ 433.08

Total 6 raw suppliers

Chemical Property of Tert-butyl 8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate

Chemical Property:

PSA：29.54000
LogP:3.57110
Storage Temp.:2-8°C
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:267.1026065
Heavy Atom Count:18
Complexity:313

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate 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=C(C1)C(=CC=C2)Cl

Technology Process of Tert-butyl 8-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate

There total 5 articles about Tert-butyl 8-chloro-3,4-dihydroisoquinoline-2(1H)-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:

: 138350-90-0
8-Chloro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

: 138350-93-3
2-(tert-butoxycarbonyl)-8-chloro-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: With hydrogen; palladium dihydroxide; In ethyl acetate; for 12h; under 1551.4 Torr; Yield given;

Reference yield:

: 138350-84-2
N-(tert-butoxycarbonyl)-2-chloro-6-methylbenzylamine

: 138350-93-3
2-(tert-butoxycarbonyl)-8-chloro-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) sec-BuLi / 1.) THF, cyclohexane, -30 deg C, 10 min, 2.) THF, cyclohexane

2: conc. HCl / tetrahydrofuran / 0.17 h / Ambient temperature

3: H₂ / Pd(OH)2 / ethyl acetate / 12 h / 2585.7 Torr

With hydrogenchloride; hydrogen; sec.-butyllithium; palladium dihydroxide; In tetrahydrofuran; ethyl acetate;
DOI:10.1139/v94-005

Reference yield:

: 138350-87-5
2-(tert-butoxycarbonyl)-8-chloro-3-hydroxy-1,2,3,4-tetrahydroisoquinoline

: 138350-93-3
2-(tert-butoxycarbonyl)-8-chloro-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: conc. HCl / tetrahydrofuran / 0.17 h / Ambient temperature

2: H₂ / Pd(OH)2 / ethyl acetate / 12 h / 2585.7 Torr

With hydrogenchloride; hydrogen; palladium dihydroxide; In tetrahydrofuran; ethyl acetate;
DOI:10.1139/v94-005