z-2-Butenoic acid, 3-mercapto, propyl ester

Base Information

• Chemical Name: z-2-Butenoic acid, 3-mercapto, propyl ester
• CAS No.: 40553-10-4
• Molecular Formula: C7H12O2S
• Molecular Weight: 160.234
• Mol file: 40553-10-4.mol

Synonyms:z-2-Butenoic acid, 3-mercapto, propyl ester;40553-10-4

Chemical Property of z-2-Butenoic acid, 3-mercapto, propyl ester

Chemical Property:

• Vapor Pressure: 0.14mmHg at 25°C
• Boiling Point: 216.4°C at 760 mmHg
• PKA: 7.13±0.70(Predicted)
• Flash Point: 97.7°C
• PSA: 65.10000
• Density: 1.033g/cm³
• LogP: 1.77320
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 160.05580079
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C=C(C)S
• Isomeric SMILES: CCCOC(=O)/C=C(/C)\S

Technology Process of z-2-Butenoic acid, 3-mercapto, propyl ester

There total 2 articles about z-2-Butenoic acid, 3-mercapto, propyl ester 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:

n-propyl acetoacetate (1779-60-8) → propyl 3-mercaptocrotonate (40553-10-4)

Guidance literature:

With hydrogenchloride; hydrogen sulfide; In acetonitrile;

DOI:10.1016/0040-4020(72)88125-0

Reference yield:

→ 3-Mercapto-buten-(2)-saeure-n-propylester (40553-10-4)

Guidance literature:

Acetessigsaeure-propylester, H2S-HCl;

upstream raw materials:

n-propyl acetoacetate