ChemicalBook > CAS DataBase List > 4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID

4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID

Product Name
4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID
CAS No.
53473-36-2
Chemical Name
4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID
Synonyms
Cinacalcet-29;Sinacase Impurity 53.;Cinacalcet Impurity 42;P-Trifluoromethyl benzylacetic acid;4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID;P-trifluoromethyl phenylpropionic acid;4-(TRIFLUOROMETHYL)PHENYLPROPIONIC ACID;3-(4-TrifluroMethylphenyl)propanoic acid;4-(TrifluoroMethyl)-benzenepropanoic acid;4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 95%
CBNumber
CB0376626
Molecular Formula
C10H9F3O2
Formula Weight
218.17
MOL File
53473-36-2.mol
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4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID Property

Melting point:
106-110 °C(lit.)
Boiling point:
0°C
Density 
1.307±0.06 g/cm3(Predicted)
Flash point:
0°C
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), Methanol (Slightly)
pka
4.54±0.10(Predicted)
form 
Crystalline Powder or Solid
color 
White to light brown
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)
InChIKey
OEIUMLSCWINLBB-UHFFFAOYSA-N
SMILES
C1(CCC(O)=O)=CC=C(C(F)(F)F)C=C1
CAS DataBase Reference
53473-36-2(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29163990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

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.

P271Use only outdoors or in a well-ventilated area.

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

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

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

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
457035
Product name
4-(Trifluoromethyl)hydrocinnamic acid
Purity
95%
Packaging
10g
Price
$332
Updated
2023/06/20
Sigma-Aldrich
Product number
457035
Product name
4-(Trifluoromethyl)hydrocinnamic acid
Purity
95%
Packaging
1g
Price
$42.2
Updated
2023/01/07
TCI Chemical
Product number
T2927
Product name
3-[4-(Trifluoromethyl)phenyl]propionic Acid
Purity
>98.0%(T)
Packaging
1g
Price
$38
Updated
2025/07/31
TCI Chemical
Product number
T2927
Product name
3-[4-(Trifluoromethyl)phenyl]propionic Acid
Purity
>98.0%(T)
Packaging
5g
Price
$128
Updated
2025/07/31
TRC
Product number
T796565
Product name
4-(Trifluoromethyl)hydrocinnamic acid
Packaging
1g
Price
$50
Updated
2021/12/16
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4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID Chemical Properties,Usage,Production

Chemical Properties

White to pale yellow crystalline powder

Uses

4-(Trifluoromethyl)hydrocinnamic Acid acts as a reagent in the synthesis of (poly)fluorinated neprilysin inhibitor. It is also applied in pesticides, medicines, dyes and in functional materials preparation because of it’s excellent bioactive properties.

Synthesis

16642-92-5

53473-36-2

GENERAL STEPS: (E)-4-Trifluoromethylcinnamic acid (10.0 g, 46.3 mmol) was mixed with 10 wt% Pd/C catalyst (250 mg) in ethanol (100 mL). The reaction mixture was placed under hydrogen atmosphere (6 bar) and the reaction was stirred at room temperature for 21 hours. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to remove the solvent to afford 3-(4-trifluoromethyl)phenylpropionic acid as a white solid (10.1 g, 46.1 mmol, 100% yield). The structure of the product was confirmed by 1H-NMR (CDCl3): δ 2.73 (t, J = 7.6 Hz, 2H), 3.03 (t, J = 7.6 Hz, 2H), 7.33 (d, J = 8.0 Hz, 2H), 7.56 (d, J = 8.1 Hz, 2H).

References

[1] Patent: WO2010/64212, 2010, A1. Location in patent: Page/Page column 23
[2] Canadian Journal of Chemistry, 2012, vol. 90, # 9, p. 758 - 761
[3] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 10, p. 3557 - 3567
[4] Patent: US2010/10226, 2010, A1. Location in patent: Page/Page column 7-8
[5] Patent: US2010/305325, 2010, A1. Location in patent: Page/Page column 2; 3; 8

4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID Suppliers

Shanghai Tuolei Chemical Reagents Co., Ltd.
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86-021-50318510
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021-58650104
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China
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J & K SCIENTIFIC LTD.
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18210857532; 18210857532
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86-10-82849933
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jkinfo@jkchemical.com
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China
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MedicalChem(Yancheng)Manuf.Co.,Ltd
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+86-515-84383180
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Meryer (Shanghai) Chemical Technology Co., Ltd.
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4006356688 18621169109
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Sales-CN@TCIchemicals.com
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Energy Chemical
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Capot Chemical Co., Ltd
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+86 (0) 571 85 58 67 18
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0086-571-85864795
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Beijing Ouhe Technology Co., Ltd
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010-010-82967028 13522913783
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+86-10-82967029
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JinYan Chemicals(ShangHai) Co.,Ltd.
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View Lastest Price from 4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 53473-36-2
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-29
Zhuozhou Wenxi import and Export Co., Ltd
Product
4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 53473-36-2
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-08-11
Career Henan Chemical Co
Product
4-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID 53473-36-2
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
1ton
Release date
2019-07-11

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