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Monomethyl glutarate

Monomethyl glutarate structure

CAS No:
1501-27-5
Formula:
C6H10O4
Chemical Name:
Monomethyl glutarate
Synonyms:
Pentanedioic acid,1-methyl ester;Glutaric acid,monomethyl ester;Pentanedioic acid,monomethyl ester;Glutaric acid,methyl ester;Monomethyl glutarate;Methyl glutarate;Methyl hydrogen glutarate;Glutaric acid methyl half ester;4-(Methoxycarbonyl)butyric acid;4-Methoxycarbonylbutanoic acid;4-Carboxybutanoic acid methyl ester;NSC 93807;5-Methoxy-5-oxopentanoic acid;Monomethyl pentanedioate;1,5-Pentanedioic acid monomethyl ester
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

Description

Solid

Liquid|Solid

Monomethyl glutaric acid is a dicarboxylic acid monoester that the monomethyl ester of glutaric acid. It has a role as a human urinary metabolite. It derives from a glutaric acid.

Monomethyl glutarate Basic Attributes

Molecular Weight：

146.14

Exact Mass：

146.14

EC Number：

216-116-1

UNII：

SK94163098

NSC Number：

93807

DSSTox ID：

DTXSID4044589

Characteristics

PSA：

63.6

XLogP3：

0.3

Appearance：

Liquid

Density：

1.164 g/cm³ @ Temp: 13 °C

Melting Point：

150 - 151 °C

Boiling Point：

150-151 °C @ Press: 10 Torr

Flash Point：

110 ºC

Refractive Index：

1.438

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/38

safety instructions：

S23-S24/25

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Monomethyl glutarate Use and Manufacturing

Methods of Manufacturing

General procedure: A solution of KOH (5.87 g, 104.65 mmol) in MeOH (150 ml) was added to dimethyl glutarate (13.15 g, 90 mmol), and the mixture was stirred for 4 h at rt. The solvent was then removed, and EtExample 21; Synthesis of 5-(4-((3, 5-bis(trifluoromethyl)phenyl)(2-methyl-2H-tetrazol-5-yl)methyl)-2-ethyl-6-(trifluoromethyl)-3, 4-dihydroquinoxalin-1(2H)-yl)pentan-1-ol (58); The synthetic scheme for the synthesis of compound (58) according to Example 21 is shown in FIG. 12. Step A; 5-Methoxy-5-oxopentanoic acid (54); TMSCHN

Uses

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|Pentanedioic acid, 1-methyl ester: ACTIVE

Computed Properties

Molecular Weight:146.14
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:146.05790880
Monoisotopic Mass:146.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Glutaric acid monomethyl ester

CAS No.: 1501-27-5

Content: 99.00%

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