Methyl 1-chloroisoquinoline-3-carboxylate

Base Information

Chemical Name:Methyl 1-chloroisoquinoline-3-carboxylate
CAS No.:349552-70-1
Molecular Formula:C11H8ClNO2
Molecular Weight:221.643
Hs Code.:
European Community (EC) Number:826-415-4
DSSTox Substance ID:DTXSID50573734
Nikkaji Number:J1.738.300K
Wikidata:Q82462546
Mol file:349552-70-1.mol

Synonyms:methyl 1-chloroisoquinoline-3-carboxylate;349552-70-1;3-Isoquinolinecarboxylic acid, 1-chloro-, methyl ester;Methyl1-chloroisoquinoline-3-carboxylate;SCHEMBL3281702;DTXSID50573734;KJBHVFGDDKSFGN-UHFFFAOYSA-N;MFCD09863391;AKOS009162504;AS-77919;SY033667;CS-0089041;EN300-30668;D74795;1-chloro-isoquinoline-3-carboxylic acid methyl ester;Z315923796

Suppliers and Price of Methyl 1-chloroisoquinoline-3-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

TRC
methyl1-chloroisoquinoline-3-carboxylate
250mg
$ 285.00

TRC
methyl1-chloroisoquinoline-3-carboxylate
50mg
$ 65.00

Crysdot
Methyl1-chloroisoquinoline-3-carboxylate 95+%
1g
$ 772.00

Chemenu
methyl1-chloroisoquinoline-3-carboxylate 95%
1g
$ 729.00

Azepine
methyl1-chloroisoquinoline-3-carboxylate 95
1 g
$ 490.00

American Custom Chemicals Corporation
METHYL 1-CHLOROISOQUINOLINE-3-CARBOXYLATE 95.00%
1G
$ 852.55

American Custom Chemicals Corporation
METHYL 1-CHLOROISOQUINOLINE-3-CARBOXYLATE 95.00%
5G
$ 1548.26

Ambeed
Methyl1-chloroisoquinoline-3-carboxylate 95+%
5g
$ 1341.00

Ambeed
Methyl1-chloroisoquinoline-3-carboxylate 95+%
1g
$ 447.00

Ambeed
Methyl1-chloroisoquinoline-3-carboxylate 95+%
250mg
$ 179.00

Total 11 raw suppliers

Chemical Property of Methyl 1-chloroisoquinoline-3-carboxylate

Chemical Property:

PSA：39.19000
LogP:2.67480
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:221.0243562
Heavy Atom Count:15
Complexity:247

Purity/Quality:

97% ^*data from raw suppliers

methyl1-chloroisoquinoline-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Technology Process of Methyl 1-chloroisoquinoline-3-carboxylate

There total 7 articles about Methyl 1-chloroisoquinoline-3-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: 90.0%

: 69454-42-8
methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate

: 349552-70-1
1-chloro-isoquinoline-3-carboxylic acid methyl ester

Guidance literature:: With trichlorophosphate; In methanol; at 130 ℃; for 0.166667h; Microwave irradiation;
DOI:10.1016/j.bmc.2010.11.059

Reference yield: 85.0%

: 69454-42-8
1-hydroxyisoquinoline-3-carboxylic acid methyl ester

: 349552-70-1
1-chloro-isoquinoline-3-carboxylic acid methyl ester

Guidance literature:: With potassium carbonate; trichlorophosphate; In acetonitrile; for 1.5h; Heating;
DOI:10.1039/b110301f

Reference yield:

: 63586-82-3
1-Oxo-1,2,3,4-tetrahydro-3(R,S)-isoquinolinecarboxylic Acid

: 349552-70-1
1-chloro-isoquinoline-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / H₂SO₄ / 8 h / Heating

2: 72 percent / 10percent Pd/C / diphenyl ether / Heating

3: 85 percent / POCl₃; K₂CO₃ / acetonitrile / 1.5 h / Heating

With sulfuric acid; potassium carbonate; trichlorophosphate; 10percent Pd/C; In diphenylether; acetonitrile;
DOI:10.1039/b110301f