2-[(Carboxymethyl)sulfanyl]-4-oxopentanoic acid

Base Information

Chemical Name:2-[(Carboxymethyl)sulfanyl]-4-oxopentanoic acid
CAS No.:5130-16-5
Molecular Formula:C₇H₁₀O₅S
Molecular Weight:206.219
Hs Code.:2930909090
NSC Number:52946
DSSTox Substance ID:DTXSID90287863
Mol file:5130-16-5.mol

Synonyms:5130-16-5;2-[(carboxymethyl)sulfanyl]-4-oxopentanoic acid;NSC52946;DTXSID90287863;NSC-52946

Suppliers and Price of 2-[(Carboxymethyl)sulfanyl]-4-oxopentanoic 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 6 raw suppliers

Chemical Property of 2-[(Carboxymethyl)sulfanyl]-4-oxopentanoic acid

Chemical Property:

Vapor Pressure:1.27E-08mmHg at 25°C
Melting Point:121-123 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
Boiling Point:430.7°C at 760 mmHg
PKA:3.58±0.10(Predicted)
Flash Point:214.3°C
PSA：116.97000
Density:1.424g/cm³
LogP:0.23650
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:206.02489459
Heavy Atom Count:13
Complexity:225

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC(C(=O)O)SCC(=O)O

Technology Process of 2-[(Carboxymethyl)sulfanyl]-4-oxopentanoic acid

There total 4 articles about 2-[(Carboxymethyl)sulfanyl]-4-oxopentanoic 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:

: 4743-82-2
4-oxo-2-pentenoic acid

: 5130-16-5
2-Carboxymethylmercapto-laevulinsaeure

Guidance literature:: Multi-step reaction with 3 steps

2: 4-chloro-aniline / benzene

3: (i) aq. Na₂CO₃, (ii) /BRN= 2431618/, aq. NaOH

With 4-chloro-aniline; In benzene;

Reference yield:

: 5130-15-4
2-Acetylmercapto-laevulinsaeure

: 5130-16-5
2-Carboxymethylmercapto-laevulinsaeure

Guidance literature:: Multi-step reaction with 2 steps

1: 4-chloro-aniline / benzene

2: (i) aq. Na₂CO₃, (ii) /BRN= 2431618/, aq. NaOH

With 4-chloro-aniline; In benzene;