(Z)-3-iodobut-2-enoic acid

Base Information

• Chemical Name: (Z)-3-iodobut-2-enoic acid
• CAS No.: 34450-60-7
• Molecular Formula: C4H5IO2
• Molecular Weight: 211.987
• European Community (EC) Number: 868-308-5
• Nikkaji Number: J1.089.725D,J982.739K
• Mol file: 34450-60-7.mol

Synonyms:(Z)-3-iodobut-2-enoic acid;34450-60-7;89033-14-7;3-Iodobut-2-enoic acid;(2Z)-3-IODOBUT-2-ENOIC ACID;3-Iodobut-2-enoicacid;3-Iodo-2-butenoic acid;(Z)-3-Iodo-2-butenoic acid;SCHEMBL6706033;Z-2-Butenoic acid, 3-iodo-;CSDFWNXJFJAWAM-IHWYPQMZSA-N;MFCD29059389;EN300-6491386;Z1508917269

Chemical Property of (Z)-3-iodobut-2-enoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.40980
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 211.93343
• Heavy Atom Count: 7
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

(Z)-3-iodobut-2-enoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)O)I
• Isomeric SMILES: C/C(=C/C(=O)O)/I

Technology Process of (Z)-3-iodobut-2-enoic acid

There total 4 articles about (Z)-3-iodobut-2-enoic 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: 94.0%

2-Butynoic acid (590-93-2) → (Z)-3-iodobut-2-enoic acid (34450-60-7)

Guidance literature:

With acetic acid; sodium iodide; at 115 ℃; for 3h;

DOI:10.1021/ja100610m

Reference yield: 15.0%

2-Butynoic acid (590-93-2) → (E)-3-iodo-2-butenoic acid (34450-59-4) + (Z)-3-iodobut-2-enoic acid (34450-60-7)

Guidance literature:

With hydrogen iodide; at 130 ℃; for 12h;

DOI:10.1055/s-2002-20971

Reference yield:

2,3-butadienoic acid (5732-10-5) → (E)-3-iodo-2-butenoic acid (34450-59-4) + (Z)-3-iodobut-2-enoic acid (34450-60-7) + 3-iodo-3-butenoic acid (157104-38-6)

Guidance literature:

With hydrogen iodide; In water; at 50 ℃; for 6h; Further Variations:; Temperatures; Product distribution;

DOI:10.1021/jo0007579

upstream raw materials:

2-Butynoic acid

2,3-butadienoic acid

Downstream raw materials:

(Z)-3-iodo-but-2-enoic acid ethyl ester

ethyl (E)-3-iodomethacrylate

(Z)-3-benzylbut-2-enoic acid

3-Methylbutenoic acid