4-Methylaminorex, cis-(+/-)-

Base Information

• Chemical Name: 4-Methylaminorex, cis-(+/-)-
• CAS No.: 29493-77-4
• Molecular Formula: C₁₀H₁₂N₂O
• Molecular Weight: 176.218
• UNII: 2149QZM652,J5G5N6R0TM
• DSSTox Substance ID: DTXSID2048870,DTXSID301345890
• Nikkaji Number: J387.572E
• Wikidata: Q81984530
• ChEMBL ID: CHEMBL4781888
• Mol file: 29493-77-4.mol

Synonyms:4,5-dihydro-4-methyl-5-phenyl-2-oxazolamine;4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine;4-methylaminorex;4-methylaminorex, (4S,5R)-;4-methylaminorex, (4S,5S)-;4-methylaminorex, (4S-cis)-isomer;4-methylaminorex, (4s-trans)-isomer;4-methylaminorex, cis-(+,-)-;4-methylaminorex, cis-(+-)-isomer;4-methylaminorex, monohydrobromide salt, (Z)-(+-)-isomer;McN 822;McN-822;U4EuH

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Chemical Property of 4-Methylaminorex, cis-(+/-)-

Chemical Property:

• Vapor Pressure: 0.00151mmHg at 25°C
• Melting Point: 153.5-156 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 295.6°C at 760 mmHg
• PKA: 8.26±0.70(Predicted)
• Flash Point: 132.6°C
• PSA: 47.61000
• Density: 1.22g/cm³
• LogP: 1.59700
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OC(=N1)N)C2=CC=CC=C2
• Isomeric SMILES: C[C@H]1[C@H](OC(=N1)N)C2=CC=CC=C2

Technology Process of 4-Methylaminorex, cis-(+/-)-

There total 4 articles about 4-Methylaminorex, cis-(+/-)- 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:

bromocyane (506-68-3) + norephedrine (54680-46-5,58550-13-3,757124-50-8) → 4r-methyl-5t-phenyl-4,5-dihydro-oxazol-2-ylamine (2077-59-0,3568-94-3,10189-63-6,27780-30-9,27780-31-0,29493-77-4,42510-77-0,75493-87-7,127253-86-5)

Guidance literature:

With sodium acetate; In methanol;

DOI:10.1021/jm00339a011

Reference yield:

bromocyane (506-68-3) + u-2-amino-1-phenylpropan-1-ol (14838-15-4,58550-13-3,757124-50-8) → 4r-methyl-5c-phenyl-4,5-dihydro-oxazol-2-ylamine (2077-59-0,3568-94-3,10189-63-6,27780-30-9,27780-31-0,29493-77-4,42510-77-0,75493-87-7,127253-86-5)

Guidance literature:

With sodium acetate; In methanol;

DOI:10.1021/jm00339a011

Reference yield:

((1RS,2SR)-2-hydroxy-1-methyl-2-phenyl-ethyl)-urea (42511-02-4) → 4r-methyl-5t-phenyl-4,5-dihydro-oxazol-2-ylamine (2077-59-0,3568-94-3,10189-63-6,27780-30-9,27780-31-0,29493-77-4,42510-77-0,75493-87-7,127253-86-5)

Guidance literature:

With thionyl chloride; In tetrahydrofuran;

DOI:10.1002/ardp.19733060408

upstream raw materials:

u-2-amino-1-phenylpropan-1-ol

cyanogen chloride

bromocyane

norephedrine

Downstream raw materials:

3,4r-dimethyl-5c-phenyl-oxazolidin-2-ylideneamine

N-(1-Methyl-2-phenylethyl)harnstoff

Refernces