112898-33-6

Basic information

• Product Name: TRANS-2,5-DIFLUOROCINNAMIC ACID
• Synonyms: (2E)-3-(2,5-Difluorophenyl)-2-propenoic acid;2,5-DIFLUOROCINNAMIC ACID;TRANS-2,5-DIFLUOROCINNAMIC ACID;RARECHEM AL BK 0214;trans-2,5-Difluorocinnamic acid 97%;trans-2,5-Difluorocinnamicacid97%;(2E)-3-(2,5-Difluorophenyl)acrylic acid, trans-3-(2,5-Difluorophenyl)prop-2-enoic acid;trans-2,5-Difluorociamic acid,98%
• CAS NO: 112898-33-6
• Molecular Formula: C₉H₆F₂O₂
• Molecular Weight: 184.14
• Product Categories: Fluoro-contained cinnamic acid series;Aromatic Cinnamic Acids, Esters and Derivatives;Cinnamic acid;Miscellaneous;Acids & Esters;Fluorine Compounds;C9;Carbonyl Compounds;Carboxylic Acids;Fluorine series
• Mol File: 112898-33-6.mol

Chemical Properties

• Melting Point: 138-140 °C(lit.)
• Boiling Point: 278.5°Cat760mmHg
• Flash Point: 122.2°C
• Appearance: /
• Density: 1.3056 (estimate)
• Vapor Pressure: 0.00204mmHg at 25°C
• PKA: 4.16±0.10(Predicted)
• BRN: 7918450
• CAS DataBase Reference: TRANS-2,5-DIFLUOROCINNAMIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: TRANS-2,5-DIFLUOROCINNAMIC ACID(112898-33-6)
• EPA Substance Registry System: TRANS-2,5-DIFLUOROCINNAMIC ACID(112898-33-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-26/37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 112898-33-6(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
TRANS-2,5-DIFLUOROCINNAMIC ACID is used as a key intermediate in the chemical synthesis industry for its ability to contribute to the formation of various complex molecules and compounds. Its unique chemical structure allows it to be a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
TRANS-2,5-DIFLUOROCINNAMIC ACID is used as a starting material for the development of new drugs, particularly in the design and synthesis of novel therapeutic agents. Its unique properties enable it to be a promising candidate for the treatment of various diseases and conditions.
Used in Agrochemical Industry:
TRANS-2,5-DIFLUOROCINNAMIC ACID is used as a component in the development of new agrochemicals, such as pesticides and herbicides. Its chemical properties make it a valuable asset in the creation of more effective and environmentally friendly products for the agricultural sector.
Used in Specialty Chemicals:
TRANS-2,5-DIFLUOROCINNAMIC ACID is used as a versatile building block in the production of specialty chemicals, which can be applied in various industries such as plastics, coatings, and materials science. Its unique properties allow for the development of innovative products with enhanced performance and functionality.

InChI:InChI=1/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/p-1/b4-1+

Upstream product

• 399-94-0 2-bromo-1,4-difluorobenzene 
• 79-10-7 acrylic acid 
• 110-89-4 piperidine 
• 2646-90-4 2,5-difluorobenzaldehyde 

Downstream Products

• 701914-04-7 3-(2,5-difluoro-phenyl)-N-methoxy-N-methyl-acrylamide 
• 558465-84-2 benzyl 3-(2,5-difluorophenyl)acrylate 
• 130408-15-0 3-(2,5-difluorophenyl)-propionic acid 
• 767355-26-0 trans-3-(2,5-difluoro-phenyl)-prop-2-en-1-ol 
• 1007862-01-2 methyl (2E)-3-(2,5-difluorophenyl)-2-propenoate 
• 917342-18-8 [2-(2,5-difluorophenyl)cyclopropyl]methanol 
• 946001-95-2 trans-3-chloro-4,7-difluoro-benzo[b]thiophene-2-carboxylic acid [5-(2-fluoro-pyridin-3-yl)-2-methoxy-benzyl]-(4-methylamino-cyclohexyl)-amide 
• 946000-02-8 trans-methyl 4-(3-{[(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-(4-methylamino-cyclohexyl)-amino]-methyl}-4-methoxy-phenyl)-pyridine-2-carboxylate 
• 945996-98-5 trans-3-{[[4-(Boc-methyl-amino)-cyclohexyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-benzeneboronic acid 
• 1025061-31-7 trans-{4-[[5-(2-acetyl-pyridin-4-yl)-2-methoxy-benzyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamic acid tert-butyl ester 
• 946000-01-7 trans-methyl 4-(3-{[[4-(tert-butoxycarbonyl-methyl-amino)-cyclohexyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-methyl}-4-methoxy-phenyl)-pyridine-2-carboxylate 
• 946000-20-0 trans-tert-butyl (4-{(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-[5-(2-dimethylcarbamoyl-pyridin-4-yl)-2-methoxy-benzyl]-amino}-cyclohexyl)-methyl-carbamate 
• 946000-09-5 trans-tert-butyl (4-{(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-[2-methoxy-5-(2-methylcarbamoyl-pyridin-4-yl)-benzyl]-amino}-cyclohexyl)-methyl-carbamate 
• 946000-03-9 trans-tert-butyl {4-[[5-(2-carbamoyl-pyridin-4-yl)-2-methoxy-benzyl]-(3-chloro-4,7-difluoro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate 

Relevant articles and documents

Small organic molecule regulators of cell proliferation

The present invention makes available methods and reagents for modulating proliferation or differentiation in a cell or tissue comprising contacting the cell with a hedgehog agonist, such as the compounds depicted in FIGS. 32 and 33. In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal ptc pathway or agonizing smoothened or hedgehog activity.

Small organic molecule regulators of cell proliferation

The present invention makes available methods and reagents for modulating proliferation or differentiation in a cell or tissue comprising contacting the cell with a hedgehog agonist, such as the compounds depicted in FIGS. 32 and 33. In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal ptc pathway or agonizing smoothened or hedgehog activity.