O-Desmethyltramadol supplier | CasNO.73986-53-5

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Name
O-DEMETHLY TRAMADOL
EINECS
CAS No. 73986-53-5
Article Data5
CAS DataBase
Density 1.104 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₃NO₂
Boiling Point 403.3 °C at 760 mmHg
Molecular Weight 249.353
Flash Point 201.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms O-Desmethyltramadol;
PSA 43.70000
LogP 2.33160

Synthetic route

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

: 73986-53-5
O-desmethyltramadol

: O-desmethyl-tramadol-diclofenac

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In chloroform at 20℃; Product distribution / selectivity;	88%

: 73986-53-5
O-desmethyltramadol

: 322-79-2
triflusal

: O-desmethyl-tramadol-triflusal

Conditions

Conditions	Yield
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

Conditions	Yield
In chloroform Product distribution / selectivity; Heating;	66%

: 5104-49-4
fluorobiprofen

: 73986-53-5
O-desmethyltramadol

: O-desmethyl-tramadol-flurbiprofen

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

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.

Product Name

O-DEMETHLY TRAMADOL

Synthetic route

O-Desmethyltramadol Specification

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