Benzaldehyde, 2-(3-butenyl)-

Base Information

• Chemical Name: Benzaldehyde, 2-(3-butenyl)-
• CAS No.: 70576-29-3
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• DSSTox Substance ID: DTXSID70437425
• Nikkaji Number: J3.129.015E
• Wikidata: Q82252915
• Mol file: 70576-29-3.mol

Synonyms:2-but-3-enylbenzaldehyde;Benzaldehyde, 2-(3-butenyl)-;70576-29-3;2-(but-3-en-1-yl)benzaldehyde;o-(3-butenyl)benzaldehyde;2-(3-Butenyl)benzaldehyde;2-(3-Buten-1-yl)benzaldehyde;SCHEMBL17006106;DTXSID70437425;GOVAFMLHEIZNFQ-UHFFFAOYSA-N;AT32509;EN300-7461454;Z1511744014

Chemical Property of Benzaldehyde, 2-(3-butenyl)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1=CC=CC=C1C=O

Technology Process of Benzaldehyde, 2-(3-butenyl)-

There total 14 articles about Benzaldehyde, 2-(3-butenyl)- 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: 96.0%

1-bromo-2-(but-3-enyl)benzene (71813-50-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-(but-3-en-1-yl)benzaldehyde (70576-29-3)

Guidance literature:

1-bromo-2-(but-3-enyl)benzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.3987/COM-16-S(S)14

Reference yield: 92.0%

2-methyl-benzyl alcohol (89-95-2) → 2-(but-3-en-1-yl)benzaldehyde (70576-29-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane;

DOI:10.1016/S0040-4039(00)80612-7

Reference yield: 86.0%

(2-(but-3-en-1-yl)phenyl)methanol (121089-46-1) → 2-(but-3-en-1-yl)benzaldehyde (70576-29-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1002/anie.200905478

upstream raw materials:

(1-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-trimethyl-ammonium; iodide

2-methyl-benzyl alcohol

allyl bromide

2-methylphenyl aldehyde

Downstream raw materials:

[1-(2-But-3-enyl-phenyl)-meth-(E)-ylidene]-(1-triethylsilanyl-allyl)-amine

(E)-N-(2-(but-3-en-1-yl)benzylidene)prop-2-en-1-amine

1-(but-3-enyl)-2-(2,2-dibromovinyl)benzene

(E)-1-(3-butenyl)-2-(2-nitro-1-propenyl)benzene