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O-Desmethyltramadol

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Name

O-Desmethyltramadol

EINECS N/A
CAS No. 73986-53-5 Density 1.104 g/cm3
PSA 43.70000 LogP 2.33160
Solubility N/A Melting Point N/A
Formula C15H23NO2 Boiling Point 403.3 °C at 760 mmHg
Molecular Weight 249.353 Flash Point 201.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 73986-53-5 (O-DEMETHLY TRAMADOL) Hazard Symbols N/A
Synonyms

O-Desmethyltramadol;

Article Data 5

O-Desmethyltramadol Synthetic route

15307-86-5

[2-(2,6-dichloroanilino)phenyl]acetic acid

73986-53-5

O-desmethyltramadol

O-desmethyl-tramadol-diclofenac

Conditions
ConditionsYield
In isopropyl alcohol at 20℃; Product distribution / selectivity;100%
73986-53-5

O-desmethyltramadol

51146-56-6

(S)-ibuprofen

O-desmethyl-tramadol-(S)-ibuprofen

Conditions
ConditionsYield
In toluene at 20℃; for 3h;91%
67127-78-0

3-acetyl-2-hydroxybenzoic acid

73986-53-5

O-desmethyltramadol

O-desmethyl-tramadol-acetylsalicylic acid

Conditions
ConditionsYield
In chloroform at 20℃; Product distribution / selectivity;88%
73986-53-5

O-desmethyltramadol

322-79-2

triflusal

O-desmethyl-tramadol-triflusal

Conditions
ConditionsYield
In ethyl acetate at 0 - 20℃; for 0.666667h; Product distribution / selectivity; Cooling with ice;77%
73986-53-5

O-desmethyltramadol

22204-53-1

(2S)-2-(6-methoxy(2-naphthyl))propanoic acid

O-desmethyl-tramadol-(S)-naproxen

Conditions
ConditionsYield
In chloroform Product distribution / selectivity; Heating;66%
5104-49-4

fluorobiprofen

73986-53-5

O-desmethyltramadol

O-desmethyl-tramadol-flurbiprofen

Conditions
ConditionsYield
In acetic acid butyl ester Product distribution / selectivity;65%
227626-60-0

N-Boc-gabapentin

73986-53-5

O-desmethyltramadol

1345016-64-9

(1R2R,1S2S)-3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenyl 2-(1-((tert-butoxycarbonylamino)methyl)cyclohexyl)acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 16h;44%
64269-79-0

Carbonyldiimidazole

15687-27-1

ibuprofen

73986-53-5

O-desmethyltramadol

269079-66-5

3-(2-dimethylaminomethyl-1-hydroxy-cyclohexyl)-phenyl 2-(4-isobutyl-phenyl)-propionate

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; dichloromethane; water; mineral oil
With sodium hydroxide In tetrahydrofuran; dichloromethane; water; mineral oil

O-Desmethyltramadol Specification

The O-Desmethyltramadol is an organic compound with the formula C15H23NO2. The IUPAC name of this chemical is 3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenol. With the CAS registry number 73986-53-5, it is also named as phenol, 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-.

Physical properties about O-Desmethyltramadol are: (1)ACD/LogP: 1.779; (2)ACD/LogD (pH 5.5): -1.26; (3)ACD/LogD (pH 7.4): -0.25; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 2.09; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 73.173 cm3; (13)Molar Volume: 225.818 cm3; (14)Polarizability: 29.008 10-24cm3; (15)Surface Tension: 46.390998840332 dyne/cm; (16)Density: 1.104 g/cm3; (17)Flash Point: 201.156 °C; (18)Enthalpy of Vaporization: 69.031 kJ/mol; (19)Boiling Point: 403.338 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3;
(2)InChIKey=UWJUQVWARXYRCG-UHFFFAOYSA-N;
(3)SmilesCN(C)CC1CCCCC1(c2cccc(c2)O)O;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 387mg/kg (387mg/kg) BEHAVIORAL: ANALGESIA Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 107, 1978.

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