3-(Tert-butoxy)propanal

Base Information

• Chemical Name: 3-(Tert-butoxy)propanal
• CAS No.: 104513-14-6
• Molecular Formula: C7H14 O2
• Molecular Weight: 130.187
• Hs Code.: 2912499000
• European Community (EC) Number: 865-897-0
• Nikkaji Number: J3.508.376F
• Mol file: 104513-14-6.mol

Synonyms:3-tert-Butoxypropanal;3-(tert-butoxy)propanal;104513-14-6;3-[(2-methylpropan-2-yl)oxy]propanal;SCHEMBL2096128;AKOS012339281;AT13970;EN300-1600792

Chemical Property of 3-(Tert-butoxy)propanal

Chemical Property:

• Refractive Index: n20/D 1.411
• PSA: 27.69000
• Density: 0.877 g/mL at 20 °C(lit.)
• LogP: 2.59230
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 81.4

Purity/Quality:

99%min ^*data from raw suppliers

1-(3,3-Diethoxypropoxy)butane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OCCC=O

Technology Process of 3-(Tert-butoxy)propanal

There total 5 articles about 3-(Tert-butoxy)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: 70.0%

2-(2-tert-butoxyethyl)-1,3-dioxolane (107378-68-7) → 3-t-butoxypropionaldehyde (104513-14-6)

Guidance literature:

In acetic acid; at 86 ℃; for 4h;

Reference yield: 42.0%

2-vinyl-1,3-dioxolane (3984-22-3) + tert-butyl alcohol (75-65-0) → 3-t-butoxypropionaldehyde (104513-14-6)

Guidance literature:

2-vinyl-1,3-dioxolane; tert-butyl alcohol; With toluene-4-sulfonic acid; at 200 ℃; for 24h;

With acetic acid; In water; at 85 ℃; for 2h;

DOI:10.1002/ejoc.201500636

Reference yield:

tert-butyl vinyl ether (926-02-3) + carbon monoxide (201230-82-2) → 3-t-butoxypropionaldehyde (104513-14-6) + 2-t-butoxypropionaldehyde

Guidance literature:

With hydrogen; dodecacarbonyltetrarhodium⁽⁰⁾; In benzene; at 100 ℃; under 76000 Torr;

DOI:10.1016/0022-328X(85)80321-1

upstream raw materials:

allyl alcohol

tert-butyl alcohol

2-(2-tert-butoxyethyl)-1,3-dioxolane

tert-butyl vinyl ether

Downstream raw materials:

(S)-2-tert-butoxymethyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid

(2R)-3-(1,1-dimethylethoxy)-2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]propanoic acid

C₂₃H₃₆F₄N₂O₅S

Refernces

• 1、 Wan, Kefeng,Zhao, Jiangui,Qin, Song,Zheng, Xueli,Fu, Haiyan,Li, Ruixiang,Chen, Hua,Yang, Jijun,Yang, Chunji. "Linear-selective hydroformylation of vinyl ether using Rh (acac)(2,2′-bis{(di[1H-indol-1-yl]phosphanyl)oxy}-1,1′-binaphthalene) – Possible way to synthesize 1,3-propanediol". . . Retrieved 2020/07/24.
• 2、 Espinosa, Antonio,Gallo, A. Miguel,Campos, Joaquin,Entrena, Antonio. "Influence of the reaction temperature on some acid-catalized processes of 6-hydroxy-4-oxa-alkanal derivatives and related products. Ring contraction in 5-alkoxy-1,4-dioxepanes". . p. 379 - 383. Retrieved 2007/10/02.