2-Butenoic acid, 2-methyl-

Base Information

• Chemical Name: 2-Butenoic acid, 2-methyl-
• CAS No.: 13201-46-2
• Molecular Formula: C5H8O2
• Molecular Weight: 100.117
• Hs Code.: 2916190090
• European Community (EC) Number: 236-167-3
• DSSTox Substance ID: DTXSID50861643
• Wikidata: Q27116830
• Mol file: 13201-46-2.mol

Synonyms:2-Butenoic acid, 2-methyl-;2-Butenoic acid, methyl-;Crotonic acid, 2-methyl-;13201-46-2;Tiglicacid;MFCD00002654;CH3CH=C(CH3)COOH;.alpha.-Methylcrotonic acid;2-methyl-but-2-enoic acid;DTXSID50861643;AKOS025243576;SY053021;FT-0605364;FT-0675231;FT-0675232;D78012

Chemical Property of 2-Butenoic acid, 2-methyl-

Chemical Property:

• Vapor Pressure: 0.152mmHg at 25°C
• Melting Point: 61-64 °C(lit.)
• Refractive Index: 1.45
• Boiling Point: 198.5 °C at 760 mmHg
• PKA: pK1:4.96 (25°C)
• Flash Point: 96 °C
• PSA: 37.30000
• Density: 1.01 g/cm³
• LogP: 1.03720
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

2-Methylbut-2-enoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)O

Technology Process of 2-Butenoic acid, 2-methyl-

There total 5 articles about 2-Butenoic acid, 2-methyl- 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: 100.0%

C19H18O3 → 2-methylbut-2-enoic acid (13201-46-2)

Guidance literature:

With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid; In water; acetonitrile; at 20 ℃; for 1h; Irradiation;

DOI:10.1021/acscatal.7b02117

Reference yield: 3.0%

carbon dioxide (124-38-9,18923-20-1) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 3-pentenoic acid (5204-64-8) + 2-methylbut-3-enoic acid (53774-20-2) + 2-methylbut-2-enoic acid (13201-46-2)

Guidance literature:

carbon dioxide; buta-1,3-diene; With triethylaluminum; In tetrahydrofuran; toluene; at 20 ℃; for 40h; under 760.051 Torr;

With hydrogenchloride; In tetrahydrofuran; water; toluene; Cooling;

DOI:10.1021/ol2002094

Reference yield:

→ 2-Methylbutanoic acid (116-53-0,600-07-7) + 2-methylbut-2-enoic acid (13201-46-2)

Guidance literature:

upstream raw materials:

carbon dioxide

buta-1,3-diene

acetaldehyde

propionic acid

Downstream raw materials:

(2E,4Z)-n-butyl 6-benzylamino-4,5-dimethyl-6-oxohexa-2,4-dienoate

(2E,4Z)-tert-butyl 6-benzylamino-4,5-dimethyl-6-oxohexa-2,4-dienoate

2-Methylbutanoic acid

5-allyl-2,3-dimethyl-cyclopent-2-enone

Refernces

• 1、 Speckmeier, Elisabeth,Zeitler, Kirsten. "Desyl and phenacyl as versatile, photocatalytically cleavable protecting groups: A classic approach in a different (visible) light". . p. 6821 - 6826. Retrieved 2017/11/06.
• 2、 -. "Morning glory-derived anticancer agents, and novel ipomoeassin compounds". Page/Page column 12. . Retrieved 2008/06/13.