(R)-(+)-4-Methoxymandelonitrile

Base Information

• Chemical Name: (R)-(+)-4-Methoxymandelonitrile
• CAS No.: 97070-73-0
• Molecular Formula: C9H9 N O2
• Molecular Weight: 163.176
• Hs Code.: 2926909090
• European Community (EC) Number: 625-912-1
• DSSTox Substance ID: DTXSID00473038
• Nikkaji Number: J274.180F
• Mol file: 97070-73-0.mol

Synonyms:(R)-(+)-4-Methoxymandelonitrile;97070-73-0;(2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile;(R)-(+)-4-Methoxymandelonitrile, 98%;(R)-2-Hydroxy-2-(4-methoxyphenyl)acetonitrile;(r)-4-methoxymandelonitrile;SCHEMBL9185138;DTXSID00473038;AKOS024386623

Chemical Property of (R)-(+)-4-Methoxymandelonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 84-87 °C(lit.)
• Refractive Index: 1.55
• Boiling Point: 334.4°Cat760mmHg
• Flash Point: 156.1°C
• PSA: 53.25000
• Density: 1.183g/cm³
• LogP: 1.25218
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

(R)-(+)-4-Methoxymandelonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C#N)O
• Isomeric SMILES: COC1=CC=C(C=C1)[C@H](C#N)O

Technology Process of (R)-(+)-4-Methoxymandelonitrile

There total 50 articles about (R)-(+)-4-Methoxymandelonitrile 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: 86.0%

trimethylsilyl cyanide (7677-24-9) + 4-methoxy-benzaldehyde (123-11-5) → (S)-4-methoxymandelonitrile (33646-40-1,97070-73-0,133269-64-4,139406-83-0)

Guidance literature:

With o-hydroxyphenyl-N-phenyl diazaphospholidine oxide; Ti(O-iPr); isopropyl alcohol; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1016/S0957-4166(99)00179-2

Reference yield: 82.0%

hydrogen cyanide (74-90-8) + 4-methoxy-benzaldehyde (123-11-5) → (S)-4-methoxymandelonitrile (33646-40-1,97070-73-0,133269-64-4,139406-83-0)

Guidance literature:

In di-isopropyl ether; at 25 ℃; for 9.5h; hydroxynitrile lyase (S)-MeHNL (EC 4.1.2.37), nitrocellulose;

Reference yield:

(S)-2-(4-methoxyphenyl)-2-(trimethylsiloxy)acetonitrile (177186-34-4) → (S)-4-methoxymandelonitrile (33646-40-1,97070-73-0,133269-64-4,139406-83-0)

Guidance literature:

With hydrogenchloride; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1016/j.tet.2004.08.083

upstream raw materials:

hydrogen cyanide

4-methoxy-benzaldehyde

trimethylsilyl cyanide

potassium cyanide

Downstream raw materials:

(S)-(+)-2-acetoxy-2-(4-methoxyphenyl)acetonitrile

(R)-(+)-α-<(tert-butyldimethylsilyl)oxy>-4-methoxybenzeneacetonitrile

methyl (R)-2-hydroxy-2-(4-methoxyphenyl)acetate

(S)-(+)-1-hydroxy-1-(4-methoxyphenyl)propan-2-one