trans-3,4-Difluorocinnamic acid

Base Information Edit

Chemical Name:trans-3,4-Difluorocinnamic acid
CAS No.:112897-97-9
Molecular Formula:C9H6F2O2
Molecular Weight:184.142
Hs Code.:29163990
European Community (EC) Number:623-374-2
DSSTox Substance ID:DTXSID701347531
Nikkaji Number:J911.584F
Wikidata:Q76146017
ChEMBL ID:CHEMBL3397061
Mol file:112897-97-9.mol

Synonyms:trans-3,4-Difluorocinnamic acid;112897-97-9;3,4-Difluorocinnamic acid;(E)-3-(3,4-difluorophenyl)acrylic acid;(E)-3-(3,4-difluorophenyl)prop-2-enoic acid;152152-17-5;(2E)-3-(3,4-difluorophenyl)prop-2-enoic acid;3-(3,4-Difluorophenyl)acrylic acid;3,4-DIFLUOROCINNAMICACID;2-Propenoic acid, 3-(3,4-difluorophenyl)-, (2E)-;MFCD00010320;3,4-difluoro cinnamic acid;SCHEMBL407484;AMY609;(E)-3,4-difluorocinnamic acid;CHEMBL3397061;DTXSID701347531;3-(3,4-Difluoro-phenyl)acrylic acid;AKOS000142594;AKOS025310637;CS-W017014;PS-6475;trans-3,4-Difluorocinnamic acid, 95%;trans-3-(3,4-Difluorophenyl)acrylic Acid;(E)-3-(3,4-difluoro-phenyl)-acrylic acid;D4161;(E)-3-(3,4-difiuorophenyl)-2-propenoic acid;(E)-3-(3,4-difluorophenyl)-2-propenoic acid;EN300-188769;EN300-833110;A802692;W-200847;Z2942853625

Suppliers and Price of trans-3,4-Difluorocinnamic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
trans-3,4-Difluorocinnamic Acid
100g
$ 235.00

TCI Chemical
trans-3,4-Difluorocinnamic Acid >98.0%(GC)(T)
1g
$ 16.00

TCI Chemical
trans-3,4-Difluorocinnamic Acid >98.0%(GC)(T)
5g
$ 48.00

SynQuest Laboratories
trans-3,4-Difluorocinnamic acid 98%
25 g
$ 56.00

SynQuest Laboratories
trans-3,4-Difluorocinnamic acid 98%
5 g
$ 20.00

Sigma-Aldrich
trans-3,4-Difluorocinnamic acid 95%
5g
$ 39.00

Matrix Scientific
trans-3,4-Difluorocinnamic Acid 97%
5g
$ 19.00

Matrix Scientific
trans-3,4-Difluorocinnamic Acid 97%
25g
$ 52.00

Frontier Specialty Chemicals
trans-3,4-Difluorocinnamic Acid 97%
5g
$ 90.00

Frontier Specialty Chemicals
trans-3,4-Difluorocinnamic Acid 97%
1g
$ 23.00

Total 64 raw suppliers

Chemical Property of trans-3,4-Difluorocinnamic acid Edit

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:0.0017mmHg at 25°C
Melting Point:194-196 °C(lit.)
Boiling Point:281.3 °C at 760 mmHg
PKA:4.27±0.10(Predicted)
Flash Point:124 °C
PSA：37.30000
Density:1.379 g/cm³
LogP:2.06260
Storage Temp.:2-8°C
Solubility.:soluble in Methanol
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:184.03358575
Heavy Atom Count:13
Complexity:216

Purity/Quality:

99% ^*data from raw suppliers

trans-3,4-Difluorocinnamic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=C(C=C1C=CC(=O)O)F)F
Isomeric SMILES:C1=CC(=C(C=C1/C=C/C(=O)O)F)F
Uses trans-3,4-Difluorocinnamic Acid is a starting material in the preparation of Ticagrelor (T437700), which is the first reversible oral P2Y12 receptor antagonist, provides faster, greater, and more consistent ADP-receptor inhibition than Clopidogrel.

Technology Process of trans-3,4-Difluorocinnamic acid

There total 5 articles about trans-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: 95.0%

: 141-82-2
malonic acid

: 34036-07-2
3,4 difluorobenzaldehyde

: 112897-97-9
(E)-3-(3,4-difluorophenyl)acrylic acid

Guidance literature:: With piperidine; pyridine; at 90 ℃; for 2h; Inert atmosphere;

Reference yield: 78.0%

: 348-61-8
1-bromo-3,4-difluorobenzene

: 79-10-7
acrylic acid

: 112897-97-9
(E)-3-(3,4-difluorophenyl)acrylic acid

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In N,N-dimethyl-formamide; at 145 - 150 ℃; for 6h;