rac O-Desmethyl tramadol hydrochloride supplier

Name
rac O-Desmethyl Tramadol Hydrochloride
EINECS
CAS No. 16412-54-7
Article Data1
CAS DataBase
Density
Solubility
Melting Point 219-221 °C
Formula C₁₅H₂₃NO₂.ClH
Boiling Point 431.1 °C at 760 mmHg
Molecular Weight 285.814
Flash Point 214.5 °C
Transport Information
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanol,2-[(dimethylamino)methyl]-1-(m-hydroxyphenyl)-, hydrochloride (8CI);Phenol,3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-, hydrochloride (9CI);2-[(Dimethylamino)methyl]-1-(m-hydroxyphenyl)cyclohexanol hydrochloride;3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol hydrochloride;
PSA 43.70000
LogP 3.13360

Synthetic route

: 73986-53-5, 80456-81-1, 144830-14-8, 144830-15-9
(±)-cis-2-[(dimethylamino)methyl]-1-(3-hydroxyphenyl)cyclohexanol

: 16412-54-7
(+/-)-mono-O-demethyltramadol hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In isopropyl alcohol at 25℃; Cooling with ice;	86%

: 36282-47-0
tramadol hydrochloride

: 16412-54-7
(+/-)-mono-O-demethyltramadol hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydroxide / water / 0.25 h / 20 °C 2: diisobutylaluminium hydride / toluene / 23 h / Cooling with ice; Inert atmosphere; Reflux 3: hydrogenchloride / isopropyl alcohol / 25 °C / Cooling with ice View Scheme

: 103-90-2
4-acetaminophenol

: 16412-54-7
(+/-)-mono-O-demethyltramadol hydrochloride

: (rac)-O-desmethyl-tramadol hydrochloride paracetamol salt

Conditions

Conditions	Yield
In methanol; dichloromethane at 0℃; Product distribution / selectivity; Heating;	62%

rac O-Desmethyl tramadol hydrochloride Specification

The rac O-Desmethyl tramadol hydrochloride with CAS registry number of 16412-54-7 is also known as Phenol,3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-, hydrochloride (1:1). The systematic name is 3-{2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl}phenol hydrochloride (1:1). It belongs to product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. In addition, the formula is C₁₅H₂₃NO₂.ClH and the molecular weight is 285.81. This chemical is a white solid and can be used as a metabolite of tramadol and an analgesic.

Physical properties about rac O-Desmethyl tramadol hydrochloride are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.31; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Flash Point: 214.5 °C; (11)Enthalpy of Vaporization: 72.39 kJ/mol; (12)Boiling Point: 431.1 °C at 760 mmHg; (13)Vapour Pressure: 3.37E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:Cl.OC1(CCCCC1CN(C)C)c2cc(O)ccc2

Product Name

rac O-Desmethyl Tramadol Hydrochloride

Synthetic route

rac O-Desmethyl tramadol hydrochloride Specification

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