Methyl 2-methylidenepentanoate

Base Information

• Chemical Name: Methyl 2-methylidenepentanoate
• CAS No.: 3070-66-4
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• DSSTox Substance ID: DTXSID60506831
• Nikkaji Number: J1.009.478J
• Mol file: 3070-66-4.mol

Synonyms:methyl 2-methylidenepentanoate;3070-66-4;Pentanoic acid, 2-methylene-, methyl ester;methylpropylacrylat;methy 2-propylacrylate;methyl2-methylidenepentanoate;SCHEMBL1298570;DTXSID60506831;QLXPVMDADJJSOC-UHFFFAOYSA-N;FT-0738265;EN300-1168747

Chemical Property of Methyl 2-methylidenepentanoate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=C)C(=O)OC

Technology Process of Methyl 2-methylidenepentanoate

There total 2 articles about Methyl 2-methylidenepentanoate 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: 62.5%

2-bromopent-1-ene (31844-95-8) + carbon monoxide (201230-82-2) → 2-propylacrylic acid (5650-75-9,138134-74-4) + methyl 2-propylacrylate (3070-66-4)

Guidance literature:

With methanol; tert-Amyl alcohol; sodium hydride; cobalt(II) acetate; In tetrahydrofuran; at 40 ℃; for 62h; under 760 Torr; Irradiation;

DOI:10.1021/jo00131a005

Reference yield: 10.5%

methanol (67-56-1) + 2-bromopent-1-ene (31844-95-8) + carbon monoxide (201230-82-2) → 2-propylacrylic acid (5650-75-9,138134-74-4) + methyl 2-propylacrylate (3070-66-4)

Guidance literature:

With tert-Amyl alcohol; sodium hydride; cobalt(II) acetate; In tetrahydrofuran; at 40 ℃; for 62h; under 760 Torr; Irradiation;

DOI:10.1021/jo00131a005

Reference yield: 50.0%

methyl 2-propylacrylate (3070-66-4) + 4-methylbenzenediazonium tetrafluoroborate (459-44-9) → 2-Iodo-2-(4-methyl-benzyl)-pentanoic acid methyl ester (110622-20-3)

Guidance literature:

With potassium iodide; In water; N,N-dimethyl-formamide; at 20 - 37 ℃; for 0.75h;

upstream raw materials:

methanol

2-bromopent-1-ene

carbon monoxide

Downstream raw materials:

2-Benzyl-2-iodo-pentanoic acid methyl ester

2-Iodo-2-(4-methyl-benzyl)-pentanoic acid methyl ester

2-[(1-Benzyloxycarbonylamino-ethyl)-methoxy-phosphinoylmethyl]-pentanoic acid methyl ester

Refernces