(R)-(-)-4-Methylglutaric acid 1-monomethyl ester

Base Information

• Chemical Name: (R)-(-)-4-Methylglutaric acid 1-monomethyl ester
• CAS No.: 80986-17-0
• Molecular Formula: C7H12 O4
• Molecular Weight: 160.17
• DSSTox Substance ID: DTXSID00447572
• Nikkaji Number: J1.388.192H
• Wikidata: Q82266444
• Mol file: 80986-17-0.mol

Synonyms:80986-17-0;(R)-(-)-4-METHYLGLUTARIC ACID 1-MONOMETHYL ESTER;(2R)-5-METHOXY-2-METHYL-5-OXOPENTANOIC ACID;(R)-5-Methoxy-2-methyl-5-oxopentanoic acid;SCHEMBL1835138;DTXSID00447572;AKOS006273411;AG-H-25603;(R)-2-Methylglutaric acid 5-methyl ester;(R)-5-Methoxy-2-methyl-5-oxopentanoicacid

Chemical Property of (R)-(-)-4-Methylglutaric acid 1-monomethyl ester

Chemical Property:

• PSA: 63.60000
• Density: 1,12 g/cm3
• LogP: 0.66030
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99%min ^*data from raw suppliers

(R)-(-)-4-METHYLGLUTARIC ACID 1-MONOMETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)OC)C(=O)O
• Isomeric SMILES: C[C@H](CCC(=O)OC)C(=O)O

Technology Process of (R)-(-)-4-Methylglutaric acid 1-monomethyl ester

There total 2 articles about (R)-(-)-4-Methylglutaric acid 1-monomethyl 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:

5-methoxy-2-methylene-5-oxopentanoic acid (93633-32-0) → (S)-5-methoxy-2-methyl-5-oxopentanoic acid (1233235-12-5) + (R)-(-)-4-methylglutaric acid 1-monomethyl ester (80986-17-0)

Guidance literature:

With [Rh((R,R)-Cy-SMS-Phos)(MeOH)2]BF₄; hydrogen; tert-butylamine; In methanol; at 20 ℃; for 4h; under 750.075 Torr; optical yield given as %ee;

DOI:10.1021/ol101029s

Reference yield:

dimethyl 2-methylglutarate (14035-94-0) → (R)-(-)-4-methylglutaric acid 1-monomethyl ester (80986-17-0)

Guidance literature:

With sodium hydroxide; phosphate buffer; at 30 ℃; esterase from Pseudomonas putida MR-2068;

DOI:10.1246/cl.1995.539

Reference yield:

C49H47N13O8S6*ClH (960061-89-6) + (R)-(-)-4-methylglutaric acid 1-monomethyl ester (80986-17-0) → C56H57N13O11S6

Guidance literature:

With pyridine; N-cyclohexylcarbodiimide-N'-methyl polystyrene HL; In dichloromethane; for 4h; Polystyrene

upstream raw materials:

dimethyl 2-methylglutarate

5-methoxy-2-methylene-5-oxopentanoic acid

Downstream raw materials:

C₅₃H₅₃N₁₃O₁₀S₆

Refernces

• 1、 Ozaki, Eiji,Sakashita, Keiichi. "Esterase catalyzed regio-and enantio-selective hydrolysis of substituted carboxylates". . p. 741 - 742. Retrieved 2007/10/03.