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2-Methyl-1,3-cyclopentanedione

2-Methyl-1,3-cyclopentanedione structure

CAS No:
765-69-5
Formula:
C6H8O2
Chemical Name:
2-Methyl-1,3-cyclopentanedione
Synonyms:
1,3-Cyclopentanedione,2-methyl-;2-Methyl-1,3-cyclopentanedione;2-Methyl-1,3-cyclopentadione;NSC 54458
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

LIGHT BEIGE TO TAN CRYSTALLINE POWDER

2-Methyl-1,3-cyclopentanedione Basic Attributes

Molecular Weight：

112.13

Exact Mass：

112.13

BRN：

1237255

EC Number：

212-153-2

UNII：

C9LG5VP01C

NSC Number：

54458

DSSTox ID：

DTXSID30227309

HScode：

29142900

Characteristics

PSA：

34.1

XLogP3：

0.2

Appearance：

Light beige to tan Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

212-214 °C

Boiling Point：

213°C (estimate)

Flash Point：

78.5±19.6 °C

Refractive Index：

1.463

Water Solubility：

Solubility in hot Methanol (almost transparency).

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25-36-26

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methyl-1,3-cyclopentanedione Use and Manufacturing

Methods of Manufacturing

In order to 1, 3-cyclopentanedione, tert-butyl peroxybenzoate is used as a raw material, the reaction steps are as follows:In the reaction flask by adding 1, 3-cyclopentanedione (0.098g, 1mmol), tert-butyl peroxybenzoate (0.58g, 3mmol), CuCl (0.01g, 0 . 1mmol) and 2 ml acetic acid, 120 °C reaction;TLC until the complete end tracking of the reaction;After the reaction the crude product by column chromatography (petroleum ether: ethyl acetate = 40:1), to obtain the target product (yield 68percent).

Uses

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:112.13
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Methyl-1,3-cyclopentanedione

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

2-Methyl-1,3-cyclopentanedione

CAS No.: 765-69-5

Content: 99.00%

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Zhejiang Yuanjin Chemical Co., Ltd. Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of Pharmaceutical intermedaite,Agricultural chemical intermediate

2-Methyl-1,3-cyclopentanedione 99.0% White to off-white crystalline powder Yuanjinchem

CAS No.: 765-69-5

Grade: Pharmaceutical Grade

Content: 99.0%

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Latest News on 2-Methyl-1,3-cyclopentanedione

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Guide of 2-Methyl-1,3-cyclopentanedione

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-Methyl-1,3-cyclopentanedione

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