Cupron

Base Information

• Chemical Name: Cupron
• CAS No.: 574-13-0
• Deprecated CAS: 1143-89-1,5928-63-2,141902-07-0
• Molecular Formula: C14H13 N O2
• Molecular Weight: 227.263
• European Community (EC) Number: 207-127-2,227-665-1,209-367-3
• NSC Number: 659
• UNII: 4W7F9B656N
• DSSTox Substance ID: DTXSID301341250
• Nikkaji Number: J81.328A
• Wikidata: Q27286743
• ChEMBL ID: CHEMBL3185374
• Mol file: 574-13-0.mol

Synonyms:alpha-benzoin oxime;alpha-BO cpd

Chemical Property of Cupron

Chemical Property:

• PSA: 52.82000
• LogP: 2.59850
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Oximes
• Canonical SMILES: C1=CC=C(C=C1)C(C(=NO)C2=CC=CC=C2)O
• Isomeric SMILES: C1=CC=C(C=C1)C(/C(=N/O)/C2=CC=CC=C2)O

Technology Process of Cupron

There total 19 articles about Cupron 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: 100.0%

(R)-benzoin (5928-66-5,579-44-2) → (R)-benzoin oxime (441-38-3,574-13-0,5928-63-2,5987-98-4,7110-50-1,57794-28-2,91840-94-7,118353-45-0,118353-47-2,141902-07-0,116779-97-6)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; water;

DOI:10.1016/S0040-4039(00)01832-3

Reference yield: 56.0%

benzilmonoxime (574-15-2,574-16-3,14090-77-8,5351-34-8) → benzoin E-oxime (574-13-0) + (+-)-benzoin-(Z)-oxime (7110-50-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 18h;

DOI:10.1016/0040-4020(95)00197-G

Reference yield:

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → benzoin E-oxime (574-13-0)

Guidance literature:

With sodium hydroxide; ethanol; hydroxylamine hydrochloride; water; at 50 - 60 ℃; aus der abgekuehlten Loesung wird nach Zusatz von viel Wasser und Einleiten von CO2 β-Benzoinoxim ausgeschieden und aus Aether umkrystallisiert;

upstream raw materials:

ethanol

(+/-)-benzoin-(O-acetyl-seqcis-oxime )

2-hydroxy-2-phenylacetophenone

(+-)-benzoin-(Z)-oxime

Downstream raw materials:

N-phenyl-2-hydroxy-4-phenylacetamide

2-phenyl-3H-indole N-oxide

lophine

benzonitrolic acid