Crotonic acid betaine

Base Information

• Chemical Name: Crotonic acid betaine
• CAS No.: 6778-30-9
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.186
• UNII: ZJ9SA2P3K7
• Wikidata: Q24644559
• Metabolomics Workbench ID: 50829
• ChEMBL ID: CHEMBL3234369
• Mol file: 6778-30-9.mol

Synonyms:crotonic acid betaine;crotonic acid betaine, inner salt, (E)-isomer;crotonobetaine

Chemical Property of Crotonic acid betaine

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+](C)(C)CC=CC(=O)[O-]
• Isomeric SMILES: C[N+](C)(C)C/C=C/C(=O)[O-]

Technology Process of Crotonic acid betaine

There total 1 articles about Crotonic acid betaine 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:

(R)-3-Acetoxy-4-bromo-butyric acid ethyl ester (95310-93-3) + trimethylamine (75-50-3) → L-carnitine (541-15-1,44985-79-7) + (E)-4-(trimethylammonio)but-2-enoate (6778-30-9)

Guidance literature:

In water;

DOI:10.1016/S0040-4039(01)81572-0

Reference yield:

(E)-4-(trimethylammonio)but-2-enoate (6778-30-9) → L-carnitine (541-15-1,44985-79-7)

Guidance literature:

With Proteus mirabilis; at 30 ℃; for 2h; Yield given;

upstream raw materials:

(R)-3-Acetoxy-4-bromo-butyric acid ethyl ester

trimethylamine

Downstream raw materials:

L-carnitine

Refernces