ChemicalBook > CAS DataBase List > 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID

3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID

Product Name
3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID
CAS No.
25173-72-2
Chemical Name
3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID
Synonyms
AKOS BBS-00006959;TIMTEC-BB SBB000794;LABOTEST-BB LT00233171;5-Trimethoxyphenyl)propanoic acid;3,4,5-TRIMETHOXYHYDROCINNAMIC ACID;3,4,5-Trimethoxyphenylpropionic acid;3,4,5-trimethoxydihydrocinnamic acid;3-(3,4,5-trimethoxyphenyl)propanoate;3,4,5-Trimethoxybenzenepropanoic acid;3,4,5-Trimethoxybenzenepropionic acid
CBNumber
CB0283225
Molecular Formula
C12H16O5
Formula Weight
240.25
MOL File
25173-72-2.mol
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3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID Property

Melting point:
100-104 °C (lit.)
Boiling point:
373℃
Density 
1.169
refractive index 
1.5140 (estimate)
Flash point:
140℃
storage temp. 
Sealed in dry,Room Temperature
solubility 
methanol: 0.1 g/mL, clear
form 
Crystalline Powder
pka
4.70±0.10(Predicted)
color 
White to almost white
BRN 
1471912
InChI
InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKey
ZCYXGVJUZBKJAI-UHFFFAOYSA-N
SMILES
C1(CCC(O)=O)=CC(OC)=C(OC)C(OC)=C1
CAS DataBase Reference
25173-72-2(CAS DataBase Reference)
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Safety

Risk Statements 
36/37/38
Safety Statements 
22-24/25
WGK Germany 
3
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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
197874
Product name
3-(3,4,5-Trimethoxyphenyl)propionic acid
Purity
≥98%
Packaging
25g
Price
$300
Updated
2023/06/20
TCI Chemical
Product number
T4336
Product name
3-(3,4,5-Trimethoxyphenyl)propanoic Acid
Purity
min. 97.0 %
Packaging
5G
Price
$85
Updated
2025/07/31
TCI Chemical
Product number
T4336
Product name
3-(3,4,5-Trimethoxyphenyl)propanoic Acid
Purity
min. 97.0 %
Packaging
25G
Price
$255
Updated
2025/07/31
TRC
Product number
T797295
Product name
3-(3,4,5-Trimethoxyphenyl)propanoicAcid
Packaging
250mg
Price
$45
Updated
2021/12/16
SynQuest Laboratories
Product number
2721-1-51
Product name
3-(3,4,5-Trimethoxyphenyl)propionic acid
Packaging
5G
Price
$65
Updated
2021/12/16
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3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID Chemical Properties,Usage,Production

Chemical Properties

WHITE TO ALMOST WHITE CRYSTALLINE POWDER

Uses

3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper).

Definition

ChEBI: A monocarboxylic acid consisting of propionic acid having a 3,4,5-trimethoxyphenyl substituent at the 3-position.

Synthesis

20329-98-0

25173-72-2

General procedure for the synthesis of 3-(3,4,5-trimethoxyphenyl)propionic acid from (E)-3-(3,4,5-trimethoxyphenyl)propenoic acid (by microwave radiation method): in a 100 mL Erlenmeyer flask, 3,4,5-trimethoxycinnamic acid (0.72 g, 0.003 mol) and PdCl2 (55 mg, 0.31 mmol) were suspended in 10% sodium hydroxide solution (6-10 mL), followed by batchwise addition of formic acid (8-12 mL). The mixture was reacted under microwave radiation for 3-5 min until the feedstock completely disappeared. Upon completion of the reaction, the cooled mixture was poured into ice water, acidified with 5% HCl and extracted with dichloromethane (3 x 10 mL). The organic layer was washed with water and dried with anhydrous Na2SO4. The solvent was removed by evaporation and the crude product was recrystallized by a solvent mixture of ethyl acetate and hexane to give 3-(3,4,5-trimethoxyphenyl)propionic acid as a white solid in 84% yield with a melting point of 102 °C (literature value 101-102 °C).1H NMR (CDCl3) δ: 6.70 (2H, s, H-2 and H-6), 3.84 (9H, s, 3-OCH3,4- OCH3 and 5-OCH3), 2.92 (2H, t, Ar-CH2-CH2-COOH), 2.70 (2H, t, -CH2-CH2-COOH); 13C NMR δ: 178.1 (COOH), 153.1 (C-3 and C-5), 135.87 (C-4 and C-1), 105.3 (C-2 and C-6) , 60.8 (4-OCH3), 56.1 (3-OCH3 and 5-OCH3), 35.5 (Ar-CH2-), 31.0 (-CH2-COOH).

IC 50

Human Endogenous Metabolite

References

[1] Journal of Organic Chemistry, 2015, vol. 80, # 24, p. 11953 - 11962
[2] Chemistry Letters, 2003, vol. 32, # 12, p. 1186 - 1187
[3] Patent: US2004/118673, 2004, A1. Location in patent: Page 7
[4] Bioorganic Chemistry, 2018, vol. 80, p. 408 - 421
[5] Angewandte Chemie - International Edition, 2014, vol. 53, # 30, p. 7785 - 7788

3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID Suppliers

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View Lastest Price from 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID manufacturers

Zhuozhou Wenxi import and Export Co., Ltd
Product
3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID 25173-72-2
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
me: 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID 25173-72-2
Price
US $1.00/KG
Min. Order
1KG
Purity
95-99%
Supply Ability
500kg/month
Release date
2019-08-01

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