5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 89315-56-0
• Molecular Formula: C9H9Cl2N
• Molecular Weight: 202.083
• Hs Code.: 2933499090
• UNII: 6Y9MNC9MYR
• ChEMBL ID: CHEMBL358790
• DSSTox Substance ID: DTXSID00503768
• Wikidata: Q82357802
• Mol file: 89315-56-0.mol

Synonyms:5,7-dichloro-1,2,3,4-tetrahydroisoquinoline;89315-56-0;MFCD08544287;5,7-Dichloro-1,2,3,4-tetrahydro-isoquinoline;Isoquinoline, 5,7-dichloro-1,2,3,4-tetrahydro-;6Y9MNC9MYR;CHEMBL358790;SCHEMBL3880722;DTXSID00503768;QCSLOZFEMQTPJA-UHFFFAOYSA-N;AKOS011659431;AS-65771;SY078720;CS-0044340;FT-0732618;EN300-148593;A861242

Chemical Property of 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Boiling Point: 308.2±42.0 °C(Predicted)
• PKA: 8.28±0.20(Predicted)
• PSA: 12.03000
• Density: 1.293±0.06 g/cm3(Predicted)
• LogP: 2.96790
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 201.0112047
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C(=CC(=C2)Cl)Cl

Technology Process of 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline

There total 13 articles about 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline 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: 96.0%

5,7-dichloro isoquinoline (73075-58-8) → 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline (89315-56-0)

Guidance literature:

5,7-dichloro isoquinoline; With acetic acid; for 0.5h;

With sodium tetrahydroborate; at 10 ℃; for 1.5h; Temperature;

Reference yield: 94.0%

C9H7Cl2N (1346177-18-1) → 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline (89315-56-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 5 ℃; for 1.5h;

Reference yield: 93.8%

C11H11Cl2NO → 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline (89315-56-0)

Guidance literature:

With hydrogenchloride; In ethanol; ethyl acetate; at 40 - 50 ℃;

upstream raw materials:

5,7-dichloro isoquinoline

3,5-dichlorobenzaldehyde

N-(2-chloroethyl)-3,5-dichlorobenzylamine hydrochloride

2,4-dichlorobenzaldeyhde

Downstream raw materials:

5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

(S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid

((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate