6-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride

Base Information

• Chemical Name: 6-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
• CAS No.: 33537-97-2
• Molecular Formula: C9H10ClN.ClH
• Molecular Weight: 204.099
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID30503776
• Mol file: 33537-97-2.mol

Synonyms:33537-97-2;6-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride;6-CHLORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE;6-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL;6-Chloro-1,2,3,4-tetrahydroisoquinolinehydrochloride;6-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride;6-Chloro-1,2,3,4-tetrahydro-isoquinoline HCl;SCHEMBL947776;DTXSID30503776;Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-, hydrochloride;MFCD08437638;AKOS015958729;SB36669;AS-69493;CS-0072670;FT-0763094;A20002;EN300-176044;J-019242;F9995-1263;6-Chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride, AldrichCPR;6-Chloro-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)

Chemical Property of 6-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride

Chemical Property:

• Boiling Point: 302.3 °C at 760 mmHg
• Flash Point: 136.6 °C
• PSA: 12.03000
• LogP: 3.11650
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 203.0268547
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

6-chloro-1,2,3,4-tetrahydroisoquinolinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C=C(C=C2)Cl.Cl

Technology Process of 6-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride

There total 1 articles about 6-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride 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: 48.0%

→ 6-chloro-1,2,3,4-tetrahydro-isoquinoline hydrochloride (33537-97-2)

Guidance literature:

Reference yield:

N-(4-bromo-2-chloro-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide (1009344-66-4) + 6-chloro-1,2,3,4-tetrahydro-isoquinoline hydrochloride (33537-97-2) → N-[2-Chloro-4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-6-trifluoromethyl-phenyl]-3,3-dimethyl-butanamide (1009344-30-2)

Guidance literature:

With potassium tert-butylate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; DavePhos; In toluene; at 90 ℃;

Reference yield:

N-(4-bromo-2,6-dimethylphenyl)-3,3-dimethylbutanamide (1009344-67-5) + 6-chloro-1,2,3,4-tetrahydro-isoquinoline hydrochloride (33537-97-2) → N-[4-(6-Chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethyl-phenyl]-3,3-dimethyl-butanamide (1009344-32-4)

Guidance literature:

With potassium tert-butylate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; DavePhos; In toluene; at 80 ℃;

Downstream raw materials:

N-[2-Chloro-4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-6-trifluoromethyl-phenyl]-3,3-dimethyl-butanamide

N-[4-(6-Chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethyl-phenyl]-3,3-dimethyl-butanamide

N-[2-chloro-4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-phenyl]-3,3-dimethylbutanamide

Refernces