3-Carboxy-5-phosphono-1,2,3,4-tetrahydroisoquinoline

Base Information

Chemical Name:3-Carboxy-5-phosphono-1,2,3,4-tetrahydroisoquinoline
CAS No.:140202-46-6
Molecular Formula:C₁₀H₁₂NO₅P
Molecular Weight:257.183
Hs Code.:
DSSTox Substance ID:DTXSID60930738
Nikkaji Number:J480.921A
ChEMBL ID:CHEMBL28501
Mol file:140202-46-6.mol

Synonyms:3-carboxy-5-phosphono-1,2,3,4-tetrahydroisoquinoline;SC 48981;SC-48981

Suppliers and Price of 3-Carboxy-5-phosphono-1,2,3,4-tetrahydroisoquinoline

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

Total 1 raw suppliers

Chemical Property of 3-Carboxy-5-phosphono-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

Vapor Pressure:1.21E-15mmHg at 25°C
Melting Point:None °C
Boiling Point:608.2°Cat760mmHg
Flash Point:321.6°C
PSA：116.67000
Density:1.6g/cm³
LogP:-0.08270
XLogP3:-3.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:257.04530948
Heavy Atom Count:17
Complexity:355

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(NCC2=C1C(=CC=C2)P(=O)(O)O)C(=O)O

Technology Process of 3-Carboxy-5-phosphono-1,2,3,4-tetrahydroisoquinoline

There total 4 articles about 3-Carboxy-5-phosphono-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: 56.0%

: 135334-95-1
dimethyl 5-(diethylphosphinyl)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate

: 129682-78-6,129682-79-7,140202-46-6
1,2,3,4-tetrahydro-5-phosphono-3-isoquinolinecarboxylic acid

Guidance literature:: With hydrogenchloride; for 24h; Heating;
DOI:10.1021/jm00086a004

Reference yield:

: 135334-93-9
methyl 2-bromo-N-(methoxycarbonyl)phenylalaninate

: 129682-78-6,129682-79-7,140202-46-6
1,2,3,4-tetrahydro-5-phosphono-3-isoquinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 33 percent / glacial acetic acid, sulfuric acid / 24 h / Ambient temperature

2: 55 percent / tetrakis(triphenylphosphine)palladium⁽⁰⁾, triethylamine / toluene / 48 h / Heating

3: 56 percent / 6 N aq. HCl / 24 h / Heating

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sulfuric acid; acetic acid; triethylamine; In toluene;
DOI:10.1021/jm00086a004

Reference yield:

: 135334-94-0
dimethyl 5-bromo-3,4-dihydro-2,3-(1H)-isoquinolinedicarboxylate

: 129682-78-6,129682-79-7,140202-46-6
1,2,3,4-tetrahydro-5-phosphono-3-isoquinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / tetrakis(triphenylphosphine)palladium⁽⁰⁾, triethylamine / toluene / 48 h / Heating

2: 56 percent / 6 N aq. HCl / 24 h / Heating

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In toluene;
DOI:10.1021/jm00086a004