(+)EPHEDRINE HEMIHYDRATE

Base Information

• Chemical Name: (+)EPHEDRINE HEMIHYDRATE
• CAS No.: 321-98-2
• Deprecated CAS: 38732-95-5,90-83-5,4607-45-8
• Molecular Formula: C10H15 N O
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• European Community (EC) Number: 206-293-3,202-017-0
• UNII: 03VRY66076,72087NSY56
• DSSTox Substance ID: DTXSID20891194,DTXSID60889333
• Nikkaji Number: J59.191B
• Wikidata: Q22330463
• NCI Thesaurus Code: C81363
• ChEMBL ID: CHEMBL2110656
• Mol file: 321-98-2.mol

Synonyms:Benzenemethanol,a-[1-(methylamino)ethyl]-,[S-(R*,S*)]-;Ephedrine, (+)- (8CI);(+)-(1S,2R)-Ephedrine;(+)-Ephedrin;(+)-Ephedrine;(1S,2R)-(+)-Ephedrine;(1S,2R)-Ephedrine;1-(S),2-(R)-erythro-(+)-Ephedrine;L-(+)-Ephedrine;d-Ephedrine;4607-45-8;

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Chemical Property of (+)EPHEDRINE HEMIHYDRATE

Chemical Property:

• Vapor Pressure: 0.00865mmHg at 25°C
• Melting Point: 40°C
• Refractive Index: 1.528
• Boiling Point: 255°Cat760mmHg
• PKA: 10.139(at 10℃)
• Flash Point: 85.6°C
• PSA: 32.26000
• Density: 1.015g/cm³
• LogP: 1.71880
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)NC
• Isomeric SMILES: C[C@H]([C@H](C1=CC=CC=C1)O)NC

Technology Process of (+)EPHEDRINE HEMIHYDRATE

There total 74 articles about (+)EPHEDRINE HEMIHYDRATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

(+/-)-erythro-methylephedrine (552-79-4,1201-56-5,14222-20-9,17605-71-9,39263-91-7,42151-56-4,51018-28-1,62560-55-8,87040-40-2) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + ephedrine (90-81-3,90-82-4,299-42-3,321-97-1,321-98-2,4125-58-0,34783-90-9,38732-95-5,53214-57-6,7009-81-6,90-83-5,6912-63-6) + benzaldehyde (100-52-7) + acetaldehyde (75-07-0,9002-91-9) + dimethyl amine (124-40-3)

Guidance literature:

With water; at 25 ℃; Product distribution; Mechanism; anodic oxidation, carbonate buffer, pH 10; effect of substituents investigated with different types of β-alkanolamines;

Reference yield: 86.0%

(2RS,3RS)-N-(2-phenyloxetan-3-yl)formamide → rac-pseudoephedrine (90-82-4,299-42-3,321-97-1,321-98-2,4125-58-0,34783-90-9,38732-95-5,53214-57-6,90-81-3,7009-81-6,90-83-5,6912-63-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 25 ℃;

DOI:10.1016/S0040-4039(97)00721-1

Reference yield: 79.0%

(+/-)-erythro-methoxyephedrine (2226-33-7,46288-71-5,79297-94-2,79297-97-5,82950-54-7,133161-06-5) → methanol (67-56-1) + ephedrine (90-81-3,90-82-4,299-42-3,321-97-1,321-98-2,4125-58-0,34783-90-9,38732-95-5,53214-57-6,7009-81-6,90-83-5,6912-63-6) + benzaldehyde (100-52-7) + acetaldehyde (75-07-0,9002-91-9) + dimethyl amine (124-40-3) + methylamine (74-89-5)

Guidance literature:

With water; at 25 ℃; Product distribution; Mechanism; anodic oxidation, carbonate buffer, pH 10; effect of substituents investigated with different types of β-alkanolamines;

upstream raw materials:

(1R,2R)-pseudoephedrine

ephedrine

methylamine

(1S,2S)-(-)-1-phenyl-1-propene oxide

Downstream raw materials:

D-erythro-2-(methyl-trans-cinnamyl-amino)-1-phenyl-propanol-⁽¹⁾

(4R,5S)-3,4-dimethyl-5-phenyloxazolidin-2-one

ephedrine

(1R,2R)-pseudoephedrine