3-Phenylpropyl nitrite

Base Information

• Chemical Name: 3-Phenylpropyl nitrite
• CAS No.: 28537-55-5
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID40182758
• Nikkaji Number: J101.555I
• Wikidata: Q83053465
• Mol file: 28537-55-5.mol

Synonyms:3-PHENYLPROPYL NITRITE;28537-55-5;1-Propanol, 3-phenyl-, nitrite;Nitrous acid, 3-phenylpropyl ester;Benzenepropanol, nitrite;Nitrous acid hydrocinnamyl ester;DTXSID40182758;FYUBBQDVMDPQED-UHFFFAOYSA-N

Chemical Property of 3-Phenylpropyl nitrite

Chemical Property:

• Vapor Pressure: 0.137mmHg at 25°C
• Boiling Point: 224.3°Cat760mmHg
• Flash Point: 90°C
• PSA: 38.66000
• Density: 1.04g/cm³
• LogP: 2.31720
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCON=O

Technology Process of 3-Phenylpropyl nitrite

There total 6 articles about 3-Phenylpropyl nitrite 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: 97.0%

3-Phenyl-1-propanol (122-97-4) → nitrous acid-(3-phenyl-propyl ester) (28537-55-5)

Guidance literature:

With triphenylphosphine; tetrabutylammonium nitrite; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 20h; Heating;

DOI:10.1055/s-2004-829122

Reference yield:

1-iodo-3-phenylpropan (4119-41-9) → nitrous acid-(3-phenyl-propyl ester) (28537-55-5) + (3-nitropropyl)benzene (22818-69-5)

Guidance literature:

With N,N-dimethyl-formamide; sodium nitrite;

DOI:10.1021/ja01588a059

Reference yield:

→ nitrous acid-(3-phenyl-propyl ester) (28537-55-5)

Guidance literature:

With silver(I) nitrite; diethyl ether; at 20 ℃;

upstream raw materials:

1-iodo-3-phenylpropan

N,N-dimethyl-formamide

3-Phenyl-1-propanol

Downstream raw materials:

3-Phenyl-1-propanol

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