2-Ketocaproic acid methyl ester

Base Information

• Chemical Name: 2-Ketocaproic acid methyl ester
• CAS No.: 6395-83-1
• Molecular Formula: C7H12O3
• Molecular Weight: 144.16800
• Hs Code.: 2918300090
• Mol file: 6395-83-1.mol

Synonyms:Methyl butyl glyoxylate;α-Keto-capronsaeure-methylester;Valerylcarbonsaeure-methylester;methyl 2-oxohexanoate;Butylglyoxylsaeure-methylester;

Chemical Property of 2-Ketocaproic acid methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 0.91870
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)

Purity/Quality:

95% ^*data from raw suppliers

methyl2-oxohexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Ketocaproic acid methyl ester

There total 17 articles about 2-Ketocaproic acid methyl ester 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: 96.0%

methyl 3-oxoheptanoate (39815-78-6) → α-keto methyl hexanoate (6395-83-1)

Guidance literature:

With aluminum (III) chloride; Oxone; In water; at 20 ℃; for 0.166667h;

DOI:10.1021/jo4009047

Reference yield: 95.0%

(Z)-methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoate (1124379-74-3) → α-keto methyl hexanoate (6395-83-1)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; In diethyl ether; water; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/anie.200804912

Reference yield: 95.0%

(Z)-2-Amino-hex-2-enoic acid ethyl ester (71385-55-2) → α-keto methyl hexanoate (6395-83-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.32.3934

upstream raw materials:

Dimethyl oxalate

n-butyl magnesium bromide

1-Methoxy-1-triphenylphosphoranyliden-hexan-2-on

tri(n-butyl)aluminium

Downstream raw materials:

methyl 2,2-difluorohexanoate

(2R)-methyl 2-acetamidohexanoate

N-Acetyl-L-norleucine methyl ester

Refernces

• 1、 Kataoka, Kengo,Wachi, Keiju,Jin, Xiongjie,Suzuki, Kosuke,Sasano, Yusuke,Iwabuchi, Yoshiharu,Hasegawa, Jun-Ya,Mizuno, Noritaka,Yamaguchi, Kazuya. "CuCl/TMEDA/nor-AZADO-catalyzed aerobic oxidative acylation of amides with alcohols to produce imides". . p. 4756 - 4768. Retrieved 2018/06/07.
• 2、 Lipshutz, Bruce H.,Boskovic, Zarko V.,Aue, Donald H.. "Synthesis of activated alkenylboronates from acetylenic esters by CuH-catalyzed 1,2-addition/transmetalation". supporting information; experimental part. p. 10183 - 10186. Retrieved 2009/05/30.