ChemicalBook--->CAS DataBase List--->695-95-4

695-95-4

695-95-4 Structure

695-95-4 Structure
IdentificationBack Directory
[Name]

METHYL 3-OXOCYCLOBUTANECARBOXYLATE
[CAS]

695-95-4
[Synonyms]

Methyl 3-oxo-cyclobutanec...
Methyl oxetane-3-carboxylate
3-methoxycarbonylcyclobutanone
METHYL 3-OXOCYCLOBUTANECARBOXYLATE
Methyl 3-oxocyclobutan-1-carboxylate
methyl 3-oxocyclobutane-1-carboxylate
3-Oxo-cyclobutanecarboxylic acid methyl ester
Cyclobutanecarboxylic acid, 3-oxo-, Methyl ester
[Molecular Formula]

C6H8O3
[MDL Number]

MFCD00604222
[MOL File]

695-95-4.mol
[Molecular Weight]

128.126
Chemical PropertiesBack Directory
[Boiling point ]

188.0±33.0 °C(Predicted)
[density ]

1.219g/ml
[storage temp. ]

Sealed in dry,2-8°C
[form ]

liquid
[color ]

Colourless
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C6H8O3/c1-9-6(8)4-2-5(7)3-4/h4H,2-3H2,1H3
[InChIKey]

IHLHSAIBOSSHQV-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)CC(=O)C1
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P501-P210-P280-P370+P378-P403+P235
[HS Code ]

2918300090
Hazard InformationBack Directory
[Uses]

Methyl 3-oxocyclobutanecarboxylate can be used as an intermediate for the synthesis of various pharmaceutical compounds. It is used for the preparation of novel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders.
[Synthesis]

Methanol

67-56-1

3-Oxocyclobutanecarboxylic acid

23761-23-1

METHYL 3-OXOCYCLOBUTANECARBOXYLATE

695-95-4

Concentrated sulfuric acid (0.2 mL) was slowly added dropwise to a solution of 3-oxocyclobutanecarboxylic acid (1 g, 8.77 mmol) in methanol (appropriate amount), followed by heating and refluxing the reaction mixture at 75 °C. The reaction progress was monitored by thin layer chromatography (TLC) and after complete conversion of the feedstock, saturated sodium bicarbonate solution was added to the reaction solution to quench the reaction. The solvent methanol was removed by distillation under reduced pressure and the resulting residue was separated by extraction with ethyl acetate and water. The organic phase was dried over anhydrous sodium sulfate and concentrated under reduced pressure to give methyl 3-oxocyclobutanecarboxylate (1.1 g, 99% yield) as a colorless oil.1H NMR (400 MHz, CDCl3) δ 3.22-3.34 (m, 3H), 3.40-3.47 (m, 2H), 3.78 (s, 3H).

[References]

[1] Patent: EP3235819, 2017, A1. Location in patent: Paragraph 0213; 0214
[2] Patent: WO2011/6621, 2011, A1. Location in patent: Page/Page column 36
[3] Patent: WO2017/48675, 2017, A1. Location in patent: Paragraph 0479
[4] Patent: CN104402754, 2016, B. Location in patent: Paragraph 0187; 0188
[5] Patent: CN104447583, 2016, B. Location in patent: Paragraph 0135; 0136; 0137; 0138; 0139
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 3-OXOCYCLOBUTANECARBOXYLATE(695-95-4)1HNMR
695-95-4 suppliers list
Company Name: BTC Pharmaceutical CO. Ltd  Gold
Telephone: +86-15716293042 15716293042
Website: http://www.btcpharm.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Boc Chemical Co.,Ltd  
Telephone: 021-34975603-808 18721111801
Website: http://www.bocchem.com/
Company Name: SpringPharma Tech Co.,Ltd  
Telephone: +86-25-68710855, +86-25-68710897
Website: www.springpharma.net
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Shanghai Sphchem Co., Ltd.  
Telephone: 021-56491756 13512199871
Website: http://www.panhongchem.com
Company Name: Heterochem  
Telephone: 027-88041443 13072715837
Website: www.hetero-chem.com
Company Name: T&W GROUP  
Telephone: 021-61551611 13296011611
Website: www.trustwe.com/
Company Name: Hangzhou Sage Chemical Co., Ltd.  
Telephone: +86057186818502 13588463833
Website: www.sagechem.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66113011 13913916777
Website: www.aikonchem.com/
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website:
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: SynAsst Chemical.  
Telephone: 021-60343070
Website: www.chemicalbook.com/ShowSupplierProductsList15848/0_EN.htm
Company Name: Shanghai Raise Chemical Technology Co.,Ltd  
Telephone: +86-021-50935922
Website: www.raise-chem.com
Tags:695-95-4 Related Product Information
23761-23-1 15963-40-3 154748-49-9 130369-36-7 769-11-9 194788-10-8 32811-75-9 623-84-7 1074-86-8 4934-99-0 145549-76-4 17205-02-6 1311166-10-5 1191-95-3 3721-95-7