3,4-DIFLUOROCINNAMIC ACID

Base Information

• Chemical Name: 3,4-DIFLUOROCINNAMIC ACID
• CAS No.: 152152-17-5
• Molecular Formula: C9H6 F2 O2
• Molecular Weight: 184.142
• Hs Code.: 2916399090
• Mol file: 152152-17-5.mol

Synonyms:3,4-Difluorocinnamicacid; 3-(3,4-Difluorophenyl)acrylic acid

Chemical Property of 3,4-DIFLUOROCINNAMIC ACID

Chemical Property:

• Boiling Point: 281.3±25.0 °C(Predicted)
• PKA: 4.27±0.10(Predicted)
• PSA: 37.30000
• Density: 1.379±0.06 g/cm3(Predicted)
• LogP: 2.06260

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,4-DIFLUOROCINNAMIC ACID

There total 2 articles about 3,4-DIFLUOROCINNAMIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

butyl 3,4-difluorocinnamate → 3-(3,4-difluorophenyl)-2-propenoic acid (152152-17-5)

Guidance literature:

butyl 3,4-difluorocinnamate; With sodium hydroxide; ethanol; water; at 80 ℃; for 2h; pH=13.4;

With sulfuric acid; In water; at 50 - 60 ℃; pH=2;

Reference yield:

malonic acid (141-82-2) + 3,4 difluorobenzaldehyde (34036-07-2) → 3-(3,4-difluorophenyl)-2-propenoic acid (152152-17-5)

Guidance literature:

With piperidine; pyridine; for 2h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c9cc04795f

Reference yield: 93.0%

1‐(4‐chloro‐3‐(trifluoromethyl)phenyl)‐3‐(4‐((2‐(hydrazinecarbonyl)pyridin‐4‐yl)oxy)phenyl)urea + 3-(3,4-difluorophenyl)-2-propenoic acid (152152-17-5) → 1-(4-(2-((N'-((E)-3-(3,4-difluorophenyl)acryloyl))hydrazinocarbonyl)pyridin-4-yloxy)phenyl)-3-(4-chloro-3-(trifluoromethyl)phenyl)urea

Guidance literature:

With triethylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1007/s00044-014-1249-9

upstream raw materials:

malonic acid

3,4 difluorobenzaldehyde

Downstream raw materials:

ethyl 3-(3,4-difluorophenyl)propanoate

5-(3,4-Difluoro-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

3,4-difluorocinnamoyl chloride

(E)-4-(2-bromovinyl)-1,2-difluorobenzene

Refernces

• 1、 -. "PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION". Paragraph 00328; 00330. . Retrieved 2020/05/06.
• 2、 Lu, Xiao-Yu,Li, Jin-Song,Wang, Shi-Qun,Zhu, Yu-Jing,Li, Yue-Ming,Yan, Lu-Yu,Li, Jia-Mei,Wang, Jin-Yu,Zhou, Hai-Pin,Ge, Xiu-Tao. "Pd-Catalyzed decarboxylative cross-coupling reactions of epoxides with α,β-unsaturated carboxylic acids". supporting information. p. 11123 - 11126. Retrieved 2019/09/20.