114420-06-3

Basic information

• Product Name: PENTONIC ACID, 2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-, ETHYL ESTER
• Synonyms: PENTONIC ACID, 2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-, ETHYL ESTER;2-Deoxy-2,2-Difluoro-4,5-o-(1-Methylethylidene) Pentonic Acid Ethyl Ester;(1-methylethylidene)-, ethylester;Pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-;Ethyl 3-(2,2-diMethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
• CAS NO: 114420-06-3
• Molecular Formula: C₁₀H₁₆F₂O₅
• Molecular Weight: 254.227
• Mol File: 114420-06-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 338.4°C at 760 mmHg
• Flash Point: 158.5°C
• Appearance: /
• Density: 1.232g/cm³
• Vapor Pressure: 6.67E-06mmHg at 25°C
• Refractive Index: 1.428
• Storage Temp.: 2-8°C
• PKA: 11.95±0.20(Predicted)
• CAS DataBase Reference: PENTONIC ACID, 2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-, ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: PENTONIC ACID, 2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-, ETHYL ESTER(114420-06-3)
• EPA Substance Registry System: PENTONIC ACID, 2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-, ETHYL ESTER(114420-06-3)

Safety Data

• Hazardous Substances Data: 114420-06-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H16F2O5/c1-4-15-8(14)10(11,12)7(13)6-5-16-9(2,3)17-6/h6-7,13H,4-5H2,1-3H3

Upstream product

• 667-27-6 Ethyl bromodifluoroacetate 
• 5736-03-8 (d,l) isopropylidene glyceraldehyde 
• 860649-42-9 5,6-0-isopropylidene ascorbic acid 

Downstream Products

• 95058-77-8 2-deoxy-2,2-difluoro-1-carbonylribose 
• 122111-01-7 2-deoxy-2,2-difluoro-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate 

Relevant articles and documents

Preparation method of antitumor drug gemcitabine hydrochloride

The invention discloses a preparation method of an antitumor drug gemcitabine hydrochloride. The preparation method specifically comprises the following processes: (1) preparing an antitumor drug gemcitabine hydrochloride intermediate: Step 1, synthesis of T1; Step2, synthesis of T2; Step3, synthesis of T3; Step4, synthesis of T4; Step5, synthesis of T5; and Step6, synthesis of T6; and (2) preparing gemcitabine hydrochloride from the gemcitabine hydrochloride intermediate: Step7, firstly reducing T6 with lithium tri (tert-butoxy) aluminum hydride, and then acylating with paratoluensulfonyl chloride to prepare T7, wherein T7 is 2-deoxy-2, 2-difluoro-D-ribofuranose-3, 5-dibenzoate; and Step8, reacting T7 with cytosine under the action of a catalyst to generate T8, wherein T8 is 2'-deoxy-2',2'-difluorocytidine-D-ribofuranose-3',5'-dibenzoate. The preparation method of the antitumor drug gemcitabine hydrochloride has the advantages of low production cost, favorability for industrial production and small environmental pollution.