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97825-25-7

Basic Information
CAS No.: 97825-25-7
Name: Ractopamine
Article Data: 3
Molecular Structure:
Molecular Structure of 97825-25-7 (Ractopamine)
Formula: C18H23NO3
Molecular Weight: 301.386
Synonyms: 4-[3-[2-Hydroxy-2-(4-hydroxyphenyl)-ethyl]aminobutyl]phenol;
Density: 1.2±0.1 g/cm3
Melting Point: 165-167 °C
Boiling Point: 520.5±50.0 °C at 760 mmHg
Flash Point: 165.3±20.7 °C
Appearance: off-white or light-yellow powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/22-43
Safety: 24-26-37
PSA: 72.72000
LogP: 3.13300
Synthetic route
90274-24-1

1-(4-hydroxyphenyl)-2-[1-methyl-3-(4-hydroxyphenyl)propylamino]ethanol hydrochloride

97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

Conditions
ConditionsYield
With sodium hydroxide In water at 20℃; for 0.5h;
97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

90274-24-1

1-(4-hydroxyphenyl)-2-[1-methyl-3-(4-hydroxyphenyl)propylamino]ethanol hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water
97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

A

SR-ractopamine 1-naphthylacetate

B

RR-ractopamine 1-naphthylacetate

Conditions
ConditionsYield
In 2-methyl-propan-1-ol; water at 8℃; for 64h;
97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

122-59-8

2-phenoxyacetic acid

RS/SR-ractopamine phenoxyacetate

RR/SS-ractopamine phenoxyacetate

Conditions
ConditionsYield
In 2-methyl-propan-1-ol at 20℃;
97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

21436-03-3

(S,S)-1,2-diaminocyclohexane

SR/RS-ractopamine S,S-DACH

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 7h; Product distribution / selectivity;
97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

C21H25NO5

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic acid / ethanol / 24 h / 20 °C
2: lithium hydroxide / water
View Scheme
50-00-0

formaldehyd

97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

105-53-3

diethyl malonate

C22H27NO5

Conditions
ConditionsYield
With acetic acid In ethanol at 20℃; for 24h;
97825-25-7

1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-1-methylpropylamino]ethanol

1129-28-8

3-methoxycarbonylbenzyl bromide

C27H31NO5

Conditions
ConditionsYield
With potassium carbonate In acetone at 60℃; for 18h;
Raw Materials
90274-24-1
Downstream Products
90274-24-1
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Specification

The Ractopamine, with the CAS registry number 97825-25-7, is also known as 4-[3-[2-Hydroxy-2-(4-hydroxyphenyl)-ethyl]aminobutyl]phenol. It belongs to the product categories of Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals; API. This chemical's molecular formula is C18H23NO3 and molecular weight is 301.38. What's more, its systematic name is 4-(1-Hydroxy-2-{[4-(4-hydroxyphenyl)-2-butanyl]amino}ethyl)phenol. Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic Agonists; (3)Adrenergic beta-agonists; (4)Neurotransmitter Agents. This chemical is a repartitioning agent and veterinary growth stimulant. 

Physical properties of Ractopamine are: (1)ACD/LogP: 1.65±0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.43; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 72.72 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 87.7±0.3 cm3; (15)Molar Volume: 253.3±3.0 cm3; (16)Polarizability: 34.8±0.5×10-24cm3; (17)Surface Tension: 53.8±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3; (19)Flash Point: 165.3±20.7 °C; (20)Enthalpy of Vaporization: 83.5±3.0 kJ/mol; (21)Boiling Point: 520.5±50.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.4 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. It may cause sensitization by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should avoid contact with skin and wear suitable gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O
(2)Std. InChI: InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3
(3)Std. InChIKey: YJQZYXCXBBCEAQ-UHFFFAOYSA-N