(2S)-2-(Benzyloxy)butanal

Base Information

• Chemical Name: (2S)-2-(Benzyloxy)butanal
• CAS No.: 80928-04-7
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID60533228
• Nikkaji Number: J2.415.107G
• Wikidata: Q82406396
• Mol file: 80928-04-7.mol

Synonyms:(2S)-2-(Benzyloxy)butanal;80928-04-7;SCHEMBL16559575;DTXSID60533228

Chemical Property of (2S)-2-(Benzyloxy)butanal

Chemical Property:

• PSA: 26.30000
• LogP: 2.18070
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=O)OCC1=CC=CC=C1
• Isomeric SMILES: CC[C@@H](C=O)OCC1=CC=CC=C1

Technology Process of (2S)-2-(Benzyloxy)butanal

There total 10 articles about (2S)-2-(Benzyloxy)butanal 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%

(3S,4R,5R,6S)-3,6-dibenzyloxyoctane-4,5-diol (172995-75-4) → (S)-(-)-2-Benzyloxybutyraldehyde (80928-04-7,137819-87-5)

Guidance literature:

With sodium periodate; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1016/0040-4020(95)00905-1

Reference yield: 99.0%

(S)-2-(benzyloxy)butan-1-ol (88376-72-1) → (S)-(-)-2-Benzyloxybutyraldehyde (80928-04-7,137819-87-5)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h;

DOI:10.1021/jo0200466

Reference yield: 85.0%

(2S,3S,4S)-4-Benzyloxy-hexane-2,3-diol (80928-03-6) → (S)-(-)-2-Benzyloxybutyraldehyde (80928-04-7,137819-87-5)

Guidance literature:

With periodic acid; In tetrahydrofuran;

DOI:10.1016/S0040-4039(01)82054-2

upstream raw materials:

(2S,3S,4S)-4-Benzyloxy-hexane-2,3-diol

((E)-(S)-1-Ethyl-but-2-enyloxymethyl)-benzene

(3S,4R,5R,6S)-3,6-dibenzyloxyoctane-4,5-diol

(S)-2-(benzyloxy)butan-1-ol

Downstream raw materials:

(2S*,1'S*)-2-<(1'-benzyloxy)propyl>-6-methyl-2,3-dihydro-4H-pyran-4-one

(2R*,1'S*)-2-<(1'-benzyloxy)propyl>-6-methyl-2,3-dihydro-4H-pyran-4-one

(2S*,1'S*,3R*)-2-<(1'-benzyloxy)propyl>-3,5-dimethyl-2,3-dihydro-4H-pyran-4-one

(2R*,3R*,1'R*)-2-<(1'-benzyloxy)propyl>-3,5-dimethyl-2,3-dihydro-4H-pyran-4-one