8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid

Base Information

Chemical Name:8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid
CAS No.:59429-75-3
Molecular Formula:C12H11 Cl O4 S
Molecular Weight:286.736
Hs Code.:
European Community (EC) Number:261-756-7
DSSTox Substance ID:DTXSID00974833
Nikkaji Number:J298.155F
ChEMBL ID:CHEMBL284670
Mol file:59429-75-3.mol

Synonyms:59429-75-3;8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid;EINECS 261-756-7;C12H11ClO4S;CHEMBL284670;SCHEMBL11705689;C12-H11-Cl-O4-S;DTXSID00974833;EMD-36927;2H-1-Benzothiopyran-2-acetic acid, 8-chloro-3,4-dihydro-5-methoxy-4-oxo-;(8-Chloro-5-methoxy-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid

Suppliers and Price of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid

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 3 raw suppliers

Chemical Property of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid

Chemical Property:

Vapor Pressure:8.45E-12mmHg at 25°C
Boiling Point:523.8°C at 760 mmHg
Flash Point:270.6°C
PSA：88.90000
Density:1.43g/cm³
LogP:2.87040
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:286.0066577
Heavy Atom Count:18
Complexity:349

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C2C(=O)CC(SC2=C(C=C1)Cl)CC(=O)O

Technology Process of 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid

There total 6 articles about 8-Chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid 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%

: 59429-74-2
3-(2-Chloro-5-methoxy-phenylsulfanyl)-pentanedioic acid

: 59429-75-3
EMD 36927

Guidance literature:: With hydrogen fluoride;
DOI:10.1016/S0040-4039(00)71180-4

Reference yield:

: 5164-76-1
dimethyl glutaconate

: 59429-75-3
EMD 36927

Guidance literature:: Multi-step reaction with 3 steps

2: 6 n HCl

3: 96 percent / liquid HF

With hydrogenchloride; hydrogen fluoride;
DOI:10.1016/S0040-4039(00)71180-4

Reference yield:

: 2401-24-3
2-chloro-5-methoxyaniline

: 59429-75-3
EMD 36927

Guidance literature:: Multi-step reaction with 4 steps

1: 63 percent

3: 6 n HCl

4: 96 percent / liquid HF

With hydrogenchloride; hydrogen fluoride;
DOI:10.1016/S0040-4039(00)71180-4