ChemicalBook > CAS DataBase List > ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE

ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE

Product Name: ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE
CAS No.: 178312-47-5
Chemical Name: ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE
Synonyms: Ethyl 4,4-dilfuorocyclohexanecarboxylate;ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE;Ethyl 4,4-difluorocyclohexanedicarboxylate;4,4-Difluoro-1-(ethoxycarbonyl)cyclohexane;Ethyl 4,4-difluorocyclohexane-1-carboxylate;1-ethyl-4,4-difluoro-1-cyclohexanecarboxylate;Cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester;Cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester (9CI)
CBNumber: CB6399337
Molecular Formula: C9H14F2O2
Formula Weight: 192.2
MOL File: 178312-47-5.mol

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ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE Property

Boiling point:: 84-86°C/8mm
Density: 1.10±0.1 g/cm3(Predicted)
Flash point:: 84-86°C/8mm
storage temp.: 2-8°C
form: solid
color: Yellow
InChI: InChI=1S/C9H14F2O2/c1-2-13-8(12)7-3-5-9(10,11)6-4-7/h7H,2-6H2,1H3
InChIKey: HZZDWLBBNSDYQM-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)CCC(F)(F)CC1
CAS DataBase Reference: 178312-47-5(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Safety Statements: 24/25
HazardClass: IRRITANT
HS Code: 2916200090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: D445698
Product name: 4,4-DifluorocyclohexanecarboxylicAcidEthylEster
Packaging: 5g
Price: $85
Updated: 2021/12/16

TRC

Product number: D445698
Product name: 4,4-DifluorocyclohexanecarboxylicAcidEthylEster
Packaging: 1g
Price: $45
Updated: 2021/12/16

Matrix Scientific

Product number: 011233
Product name: Ethyl 4,4-difluorocyclohexanecarboxylate
Purity: 97+%
Packaging: 5g
Price: $49
Updated: 2021/12/16

Oakwood

Product number: 024504
Product name: Ethyl4,4-difluorocyclohexanecarboxylate
Purity: 98%
Packaging: 1g
Price: $11
Updated: 2021/12/16

Matrix Scientific

Product number: 011233
Product name: Ethyl 4,4-difluorocyclohexanecarboxylate
Purity: 97+%
Packaging: 1g
Price: $11
Updated: 2021/12/16

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ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE Chemical Properties,Usage,Production

Uses

4,4-Difluorocyclohexanecarboxylic Acid Ethyl Ester is used as a reactant in the preparation of antiretroviral drug Maraviroc (M193000), which is CCR-5 receptor antagonist used for the treatment of HIV.

Synthesis

17159-79-4

178312-47-5

General procedure for the synthesis of ethyl 4,4-difluorocyclohexanecarboxylate from ethyl cyclohexanonecarboxylate: ethyl 4-oxocyclohexanecarboxylate (5 g, 29 mmol) of the compound 4-oxocyclohexanecarboxylic acid (5 g, 29 mmol) was slowly added dropwise by dissolving DAST (7.7 mL) in 75 mL CCl4 at 0 °C. After the dropwise addition was completed, the reaction mixture was stirred at room temperature for 16 hours. Upon completion of the reaction, the reaction was quenched by slow addition of water, the organic phase was separated, washed with water and dried with Na2SO4. Finally, purification by distillation gave ethyl 4,4-difluorocyclohexanecarboxylate as a colorless oil (4.2 g, 71% yield).

References

[1] Patent: WO2013/13188, 2013, A1. Location in patent: Paragraph 00312
[2] Patent: US9416132, 2016, B2. Location in patent: Page/Page column 134
[3] Patent: US2014/275080, 2014, A1. Location in patent: Paragraph 0427
[4] Patent: WO2018/213150, 2018, A1. Location in patent: Page/Page column 20; 21; 28
[5] Patent: US5968923, 1999, A

ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE Preparation Products And Raw materials

Raw materials

Preparation Products

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ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE Suppliers

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View Lastest Price from ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE manufacturers

Career Henan Chemical Co

Product: ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE 178312-47-5
Price: US $7.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2020-01-02

178312-47-5, ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATERelated Search:

Cyclohexanecarboxylic acid, 4,4-difluoro-1-hydroxy-, ethyl ester Ethyl pivaloylacetate ETHYL 3-BROMOPYRIDINE-4-CARBOXYLATE Ethyl5-bromo-1,3,4-thiadiazole-2-carboxylate ETHYL 4-METHYLOCTANOATE 2,2-DIFLUOROBUTYRIC ACID 4,4-DIFLUOROCYCLOHEXYLAMINEHYDROCHLORIDE ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE 4,4-Difluorocyclohexanecarboxylic acid Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) Cyclohexanecarboxylic acid, 4,4-difluoro-, methyl ester

4,4-Difluoro-1-(ethoxycarbonyl)cyclohexane

Ethyl 4,4-difluorocyclohexane-1-carboxylate

ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE

Ethyl 4,4-difluorocyclohexanedicarboxylate

Cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester (9CI)

Cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester

Ethyl 4,4-dilfuorocyclohexanecarboxylate

1-ethyl-4,4-difluoro-1-cyclohexanecarboxylate

178312-47-5

C9H14F2O2

Esters

Ring Systems

CARBOXYLICESTER

Drug Intermediates