METHYL HYDROGEN GLUTARATE

Base Information

• Chemical Name: METHYL HYDROGEN GLUTARATE
• CAS No.: 1501-27-5
• Molecular Formula: C6H10O4
• Molecular Weight: 146.143
• Hs Code.: 29171900
• European Community (EC) Number: 216-116-1
• NSC Number: 93807
• UNII: SK94163098
• DSSTox Substance ID: DTXSID4044589
• Nikkaji Number: J127.893B
• Wikidata: Q27159131
• Metabolomics Workbench ID: 37468
• ChEMBL ID: CHEMBL1483438
• Mol file: 1501-27-5.mol

Synonyms:Methyl hydrogen glutarate;5-methoxy-5-oxopentanoic acid;

Chemical Property of METHYL HYDROGEN GLUTARATE

Chemical Property:

• Appearance/Colour: White or almost white crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 277.3 °C at 760 mmHg
• PKA: 4.62±0.10(Predicted)
• Flash Point: 110.5 °C
• PSA: 63.60000
• Density: 1.162 g/cm³
• LogP: 0.41430
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

mono-Methyl glutarate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/38
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CCCC(=O)O
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of METHYL HYDROGEN GLUTARATE

There total 22 articles about METHYL HYDROGEN GLUTARATE 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%

methanol (67-56-1) + glutaric anhydride, (108-55-4) → Pentanedioic acid, monomethyl ester (1501-27-5)

Guidance literature:

at 20 ℃;

DOI:10.1002/adsc.200600355

Reference yield: 95.0%

glutaric anhydride, (108-55-4) + sodium methylate (124-41-4) → Pentanedioic acid, monomethyl ester (1501-27-5)

Guidance literature:

In methanol; at 20 ℃;

DOI:10.1021/jo9913199

Reference yield: 86.8%

Dimethyl glutarate (1119-40-0) → 1,5-pentanedioic acid (110-94-1) + Pentanedioic acid, monomethyl ester (1501-27-5)

Guidance literature:

Dimethyl glutarate; With potassium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 0.166667h;

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃;

DOI:10.1246/bcsj.78.498

upstream raw materials:

methanol

1,5-pentanedioic acid

glutaric anhydride,

potassium ethoxide

Downstream raw materials:

dimethyl subarate

6-Methyltetracosansaeure-methylester

19,22-Dimethyltetracontan

butanoic acid methyl ester

Refernces

• 1、 -. "PYRIDAZINE DERIVATIVES AS SMARCA2/4 DEGRADERS". Page/Page column 91-92. . Retrieved 2019/11/12.
• 2、 Aoyama, Eriko,Fuchida, Hirokazu,Oshikawa, Yuji,Uchinomiya, Shohei,Ojida, Akio. "Intracellular delivery of chemical probes using a glutathione-responsive traceless tag". supporting information. p. 7715 - 7718. Retrieved 2016/07/06.