(S)-2-(benzyloxy)propanal

Base Information

• Chemical Name: (S)-2-(benzyloxy)propanal
• CAS No.: 81445-44-5
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• European Community (EC) Number: 617-235-5
• DSSTox Substance ID: DTXSID80455716
• Nikkaji Number: J370.531E
• Mol file: 81445-44-5.mol

Synonyms:(S)-2-(benzyloxy)propanal;81445-44-5;(S)-2-(Benzyloxy)propional;(2S)-2-phenylmethoxypropanal;(S)-2-Benzyloxy-propionaldehyde;(2S)-2-(Benzyloxy)propanal;(s)-2-benzyloxypropanal;SCHEMBL6172748;DTXSID80455716;(S)-2-(benzyloxy)propionaldehyde;LRRGYHJHSLSATF-VIFPVBQESA-N;MFCD04116115;AKOS006239988;CS-T-06178

Chemical Property of (S)-2-(benzyloxy)propanal

Chemical Property:

• Boiling Point: 90-93oC/0.5mm
• PSA: 26.30000
• LogP: 1.79060
• Storage Temp.: -86°C Freezer
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

99.9% ^*data from raw suppliers

(S)-2-(Benzyloxy)propional ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-2-(benzyloxy)propanal

There total 85 articles about (S)-2-(benzyloxy)propanal 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%

C26H31NO3 (1234714-02-3) → C16H21NO (1177266-32-8) + (S)-2-(benzyloxy)propanal (81445-44-5)

Guidance literature:

C₂₆H₃₁NO₃; With lithium aluminium tetrahydride; In tetrahydrofuran; at -15 ℃; Inert atmosphere;

In tetrahydrofuran; at 0 ℃; pH=7; phosphate buffer;

DOI:10.1016/j.tet.2010.03.105

Reference yield: 98.0%

ethyl (S)-2-(benzyloxy)propionate (54783-72-1) → (S)-2-(benzyloxy)propanal (81445-44-5)

Guidance literature:

With diisobutylaluminium hydride; In diethyl ether; at -78 ℃; for 1h;

DOI:10.1016/S0022-328X(96)06850-7

Reference yield: 97.0%

(R)-2-(benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one → (R)-2-benzyloxypropanal (53346-05-7,41954-96-5,81445-44-5,81445-45-6)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at -15 - -10 ℃; for 2h;

upstream raw materials:

5-O-benzyl-D-rhamnitol

(2R,3R)-3-(benzyloxy)butane-1,2-diol

C₂₀H₂₄O

benzyl chloride

Downstream raw materials:

methyl (4S,5S,1'S)-5-<1'-(benzyloxy)ethyl>-2-(p-methoxyphenyl)-2-oxazoline-4-carboxylate

cis-(4R,5S,1'S)-5-<1'-(benzyloxy)ethyl>-4-(methoxycarbonyl)-2-(p-methoxyphenyl)-2-oxazoline

(4S,5R)-5-((S)-1-Benzyloxy-ethyl)-2-(4-methoxy-phenyl)-4,5-dihydro-oxazole-4-carboxylic acid methyl ester

((S)-3-Benzyloxy-but-1-ynyl)-trimethyl-silane

Refernces

• 1、 -. "COMPOUNDS AND METHODS FOR TARGETED DEGRADATION OF KRAS". Paragraph 00235. . Retrieved 2021/10/15.
• 2、 -. "MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE". Paragraph 00763-00764. . Retrieved 2019/10/29.