Butanal, 2-methylene-4-(phenylmethoxy)-

Base Information

• Chemical Name: Butanal, 2-methylene-4-(phenylmethoxy)-
• CAS No.: 61700-12-7
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID50448771
• Nikkaji Number: J2.290.330F
• Wikidata: Q82267916
• Mol file: 61700-12-7.mol

Synonyms:61700-12-7;Butanal, 2-methylene-4-(phenylmethoxy)-;4-benzyloxy-2-methylenebutanal;SCHEMBL6119882;DTXSID50448771;2-Methylene-4-(benzyloxy)butanal;XECYWBLONQYPGQ-UHFFFAOYSA-N

Chemical Property of Butanal, 2-methylene-4-(phenylmethoxy)-

Chemical Property:

• PSA: 26.30000
• LogP: 2.34840
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CCOCC1=CC=CC=C1)C=O

Technology Process of Butanal, 2-methylene-4-(phenylmethoxy)-

There total 12 articles about Butanal, 2-methylene-4-(phenylmethoxy)- 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: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-benzyloxybutanal (5470-84-8) → 2-Methylene-4-(phenylmethoxy)butanal (61700-12-7)

Guidance literature:

With N,N-dimethylammonium chloride; acetic acid; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; water; at 120 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol4010068

Reference yield: 86.0%

4-benzyloxy-butan-1-ol (4541-14-4) + N,N-dimethyl(methylene)ammonium chloride (30354-18-8) → 2-Methylene-4-(phenylmethoxy)butanal (61700-12-7)

Guidance literature:

4-benzyloxy-butan-1-ol; With oxalyl dichloride; In dichloromethane; dimethyl sulfoxide; at -78 ℃; for 1h;

With triethylamine; In dichloromethane; dimethyl sulfoxide; at 0 ℃; for 0.5h;

N,N-dimethyl(methylene)ammonium chloride; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; dimethyl sulfoxide; at 20 ℃; for 22h;

DOI:10.3390/molecules25194527

Reference yield:

4-benzyloxybutanal (5470-84-8) + N,N-dimethylammonium chloride (506-59-2) → 2-Methylene-4-(phenylmethoxy)butanal (61700-12-7)

Guidance literature:

With formaldehyd;

upstream raw materials:

formaldehyd

4-benzyloxybutanal

(S)-4-Benzyloxy-2-(tert-butyl-diphenyl-silanyloxymethyl)-butylideneamine

(S)-4-benzyloxy-1,2-butanediol

Downstream raw materials:

(1S,6R)-6-(2-Benzyloxy-ethyl)-6-formyl-cyclohex-2-enecarboxylic acid methyl ester

(1R,6R)-6-(2-Benzyloxy-ethyl)-6-formyl-cyclohex-2-enecarboxylic acid methyl ester

(+/-)-cis-1,4,4a,7,8,8a-Hexahydro-8a-<2-(phenylmethoxy)ethyl>-3H-2-benzopyran-3-one

4-(benzyloxy)-2-methylenebutan-1-ol