Hexylmethylmalonic acid

Base Information

• Chemical Name: Hexylmethylmalonic acid
• CAS No.: 4360-86-5
• Molecular Formula: C10H18O4
• Molecular Weight: 202.251
• Hs Code.: 2917190090
• Mol file: 4360-86-5.mol

Synonyms:Malonic acid,2-hexyl-2-methyl;2-Hexyl-2-methylmalonic acid;Hexylmethylmalonic acid;2,2-Octanedicarboxylic acid;

Chemical Property of Hexylmethylmalonic acid

Chemical Property:

• Melting Point: 132-132.5 °C
• Boiling Point: 358.0±25.0 °C(Predicted)
• PKA: 2.85±0.11(Predicted)
• PSA: 74.60000
• Density: 1.105±0.06 g/cm3(Predicted)
• LogP: 2.13230

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Hexylmethylmalonic acid

There total 3 articles about Hexylmethylmalonic 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: 80.0%

2-hexyl-2-methylmalonic acid diethyl ester (64770-20-3) → 2-hexyl-2-methylmalonic acid (4360-86-5)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 6h; Reflux;

DOI:10.1039/c4ob00048j

Reference yield:

1-bromo-hexane (111-25-1) → 2-hexyl-2-methylmalonic acid (4360-86-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) EtONa / 1.) EtOH, reflux, 5 min, 2.) EtOH, reflux, 2 h

2: KOH / aq. ethanol / 4 h / Heating

With potassium hydroxide; sodium ethanolate; In ethanol;

DOI:10.1016/S0957-4166(00)80427-9

Reference yield:

1-Chlorohexane (544-10-5) → 2-hexyl-2-methylmalonic acid (4360-86-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: aq.-ethanolic KOH-solution

With potassium hydroxide; ethanol;

upstream raw materials:

2-hexyl-2-methylmalonic acid diethyl ester

1-bromo-hexane

1-Chlorohexane

Downstream raw materials:

2-methyloctanoic acid

3,3′-O,O-(dotriacontane-1,32-diyl)bis{2-O-[(10RS)-10-methylhexadecyl]-sn-glycerol}

1-O-benzyl-3-O-[(10RS)-10-methylheptadec-16-en-1-yl]-2-O-[(10RS)-methylhexadecyl]-sn-glycerol

1-O-benzyl-3-O-(heptadec-16-en-1-yl)-2-O-[(10RS)-10-methylhexadecyl]-sn-glycerol

Refernces

• 1、 Berglund,Holmquist,Hedenstrom,Hult,Hogberg. "2-Methylalkanoic acids resolved by esterification catalysed by lipase from Candida rugosa: Alcohol chain length and enantioselectivity". . p. 1869 - 1878. Retrieved 2007/10/02.