3-(Benzyloxy)propanal

Base Information

• Chemical Name: 3-(Benzyloxy)propanal
• CAS No.: 19790-60-4
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID90447162
• Nikkaji Number: J573.845H
• Wikidata: Q82265977
• Mol file: 19790-60-4.mol

Synonyms:3-(Benzyloxy)propanal;19790-60-4;3-BENZYLOXY-PROPIONALDEHYDE;3-phenylmethoxypropanal;3-benzyloxypropanal;3-(phenylmethoxy)propanal;Propanal, 3-(phenylmethoxy)-;3-Benzyloxypropionaldehyde;3-Benzyloxy-1-propanal;3-benzyloxy propanal;3-(benzyloxy)propionaldehyde;3-benzyloxy-1-propanaldehyde;SCHEMBL1428305;3-Benzyloxypropionaldehyde, 96%;AMY3580;DTXSID90447162;ANSYAMHYCYOWAW-UHFFFAOYSA-N;MFCD00506599;AKOS012340690;CS-W010833;AS-19780;FT-0709522;EN300-98978;W18571;A902302;W-206459;Z1080367286

Chemical Property of 3-(Benzyloxy)propanal

Chemical Property:

• Refractive Index: n20/D1.512
• Boiling Point: 262.6±15.0 °C(Predicted)
• Flash Point: >110℃
• PSA: 26.30000
• Density: 1.059 g/mL at 25 °C
• LogP: 1.79220
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Phenylmethoxy)propanal ^*data from reagent suppliers

Safty Information:

• Statements: 52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCCC=O
• Uses: 3-BENZYLOXY-PROPIONALDEHYDE was used in the chemoenzymatic synthesis of threo- and erythro-β-hydroxy-L-glutamic acid derivatives. 3-(Phenylmethoxy)propanal was used in the chemoenzymatic synthesis of threo- and erythro-β-hydroxy-L-glutamic acid derivatives.

Technology Process of 3-(Benzyloxy)propanal

There total 38 articles about 3-(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: 99.0%

3-benzyloxypropan-1-ol (4799-68-2) → 3-Benzyloxypropanal (19790-60-4)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 ℃;

DOI:10.1016/0040-4039(96)00825-8

Reference yield: 99.0%

(+/-)-4-benzyloxy-butane-1,2-diol (71998-69-1) → 3-Benzyloxypropanal (19790-60-4)

Guidance literature:

With periodic acid; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo2013466

Reference yield: 97.0%

3-benzyloxypropionaldehyde diethyl acetal (78314-63-3) → 3-Benzyloxypropanal (19790-60-4)

Guidance literature:

With hydrogenchloride; for 3h; Ambient temperature;

DOI:10.1246/bcsj.58.2812

upstream raw materials:

formaldehyd

3-benzyloxypropionitrile

3-benzyloxypropan-1-ol

3-benzyloxypropionaldehyde diethyl acetal

Downstream raw materials:

(3S,4S)-1-(benzyloxy)-4-methylhex-5-en-3-ol

(3R,4R)-1-(benzyloxy)-4-methylhex-5-en-3-ol

(3,3-Bis-tert-butylperoxy-propoxymethyl)-benzene

(E,5RS)-7-benzyloxy-1-chloro-5-hydroxyhepten-3-one

Refernces

• 1、 Gutke, Hans-Jürgen,Oesterreich, Kai,Spitzner, Dietrich,Braun, Norbert A. "Anionically induced domino reactions; synthesis of analogues of marine sesquiterpenes". . p. 997 - 1003. Retrieved 2001.
• 2、 De Angelis, Martina,Primitivo, Ludovica,Lizzio, Federica,Agostinelli, Sonia,Sappino, Carla,Ben Romdan, Ilaria,Bonanni, Luciano,D'Annibale, Andrea,Antonioletti, Roberto,Ricelli, Alessandra,Righi, Giuliana. "Total stereocontrolled synthesis of a novel pyrrolizidine iminosugar". . . Retrieved 2021/12/20.
• 3、 Liang, Jun,Zbieg, Jason R.,Blake, Robert A.,Chang, Jae H.,Daly, Stephen,Dipasquale, Antonio G.,Friedman, Lori S.,Gelzleichter, Thomas,Gill, Matthew,Giltnane, Jennifer M.,Goodacre, Simon,Guan, Jane,Hartman, Steven J.,Ingalla, Ellen Rei,Kategaya, Lorn,Kiefer, James R.,Kleinheinz, Tracy,Labadie, Sharada S.,Lai, Tommy,Li, Jun,Liao, Jiangpeng,Liu, Zhiguo,Mody, Vidhi,McLean, Neville,Metcalfe, Ciara,Nannini, Michelle A.,Oeh, Jason,O'Rourke, Martin G.,Ortwine, Daniel F.,Ran, Yingqing,Ray, Nicholas C.,Roussel, Fabien,Sambrone, Amy,Sampath, Deepak,Schutt, Leah K.,Vinogradova, Maia,Wai, John,Wang, Tao,Wertz, Ingrid E.,White, Jonathan R.,Yeap, Siew Kuen,Young, Amy,Zhang, Birong,Zheng, Xiaoping,Zhou, Wei,Zhong, Yu,Wang, Xiaojing. "GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer". supporting information. p. 11841 - 11856. Retrieved 2021/07/31.