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697235-49-7

697235-49-7 Structure

697235-49-7 Structure
IdentificationBack Directory
[Name]

2-(3-(4-hydroxyphenyl)propanamido)benzoic acid
[CAS]

697235-49-7
[Synonyms]

NanoCalmin
NanoCalmin 5%
Dihydroavenatine
Dihydrogen alkaloid
Dihydroavenanthramide
Dihydroavenanthramide D
Dihydroavenatine (Nasumin)
Property: off-white powder
Soluble Dihydroavenanthramide D
SymCalmin Dihydroavenanthramide D
NanoCalmin Dihydroavenanthramide D
HYDROXYPHENYL PROPAMIDOBENZOIC ACID
2-(3-(4-hydroxyphenyl)propanamido)benzoic acid
2-[3-(4-hydroxyphenyl)propanoylamino]benzoicaci
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-benzoic acid
Benzoic acid, 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-
Dihydroavenanthramide D, Hydroxyphenyl Propamidobenzoic Acid
[EINECS(EC#)]

470-130-4
[Molecular Formula]

C16H15NO4
[MDL Number]

MFCD26131465
[MOL File]

697235-49-7.mol
[Molecular Weight]

285.29
Questions And AnswerBack Directory
[Preparation]

1. Mix p-hydroxyphenylpropionic acid, dichloromethane, and pyridinium p-toluenesulfonate, and add a vinyl isopropyl ether/dichloromethane mixture, controlling the temperature at 15-20℃ and adding slowly. After reacting for 5 hours, confirm by TLC that no raw material remains, then wash with saturated brine and concentrate the organic phase. 2. Mix 3-[4-(1-ethoxyethoxy)phenyl]propionic acid, toluene, and tris(2,2,2-trifluoroethyl) borate, and add methyl anthranilate dropwise. Reflux under microvacuum for 5 hours to remove water, confirm by TLC that no compound III remains, then concentrate to 1/3 of the original volume, add n-heptane, slurry, and filter. 3. Mix the wet product obtained in the previous step with dichloromethane, adjust the pH to 11-12 with sodium hydroxide aqueous solution, and hydrolyze for 6 hours; after separation, retain the aqueous phase, add ethanol, adjust the pH to 1-2 with hydrochloric acid, slurry, filter, wash with ethanol, and dry to obtain 2-(3-(4-hydroxyphenyl)propanamido)benzoic acid.
[Treatment of Allergy]

2-(3-(4-hydroxyphenyl)propanamido)benzoic acid, also called hydroxyphenyl propamidobenzoic acid, is a good anti-irritant ingredient effectively reduces skin itching. It is derived from the active ingredient of oat (Avena Sativa), also known as dihydro oat acyl anthranilic acid, oat avenanthramides or oat amide. Oat amide is an antioxidant substance unique in oat and has the highest content in the aleurone layer. Oat amide is used in bath product additives to relieve dry skin symptoms and skin itching.
2-(3-(4-hydroxyphenyl) propanamido) benzoic acid is a kind of efficient ingredients in anti-irritant and inflammation reduction. It is an antihistamine which can effectively reduces itching and redness. Moreover, this drug has a wide range of applications, such as a remarkable effect on skin care, hair care, body care and scalp care.

[Safety]

Some experts have studied the functional role of hydroxyphenyl propamidobenzoic acid in animals. The mice were fed in 2 groups. One is normal and the other added hydroxyphenyl propamidobenzoic acid at a dose of 0.1 g/kg, the purpose of which is to see the ability of this substance to regulate the tissue oxidation and antioxidant balance in the mice. In addition, 50 days after feeding the mice, the two groups of mice were divided into the exercise group and the non-exercise group to study the effect of hydroxyphenyl propamidobenzoic acid on the oxidation induced by exercise in the internal organs of mice.

Chemical PropertiesBack Directory
[Boiling point ]

590.0±40.0 °C(Predicted)
[density ]

1.354±0.06 g/cm3(Predicted)
[vapor pressure ]

0Pa at 20℃
[form ]

solid
[pka]

3.47±0.10(Predicted)
[Water Solubility ]

86.5mg/L at 20℃
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
[InChI]

InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)
[InChIKey]

DLFOKZQWYFNKCL-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC=C1NC(=O)CCC1=CC=C(O)C=C1
[LogP]

3.05 at 20℃
Safety DataBack Directory
[Hazard statements ]

H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[WGK Germany ]

WGK 1
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-(3-(4-hydroxyphenyl)propanamido)benzoic acid can be used as a raw material for cosmetics, It works as a skin soothing agent thanks to its triple anti-irritant benefits: reduces redness, inflammation and itch PLUS has anti-oxidant efficacy. 
[Flammability and Explosibility]

Nonflammable
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