3-Methoxy-3-methylbutanal

Base Information

• Chemical Name: 3-Methoxy-3-methylbutanal
• CAS No.: 181134-54-3
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• European Community (EC) Number: 816-511-4
• DSSTox Substance ID: DTXSID20457491
• Nikkaji Number: J1.366.535D
• Wikidata: Q82280340
• Mol file: 181134-54-3.mol

Synonyms:3-methoxy-3-methylbutanal;181134-54-3;Butanal, 3-methoxy-3-methyl-;3-methoxy-3-methyl-butanal;SCHEMBL1644984;DTXSID20457491;JEERAMZIKOLMNQ-UHFFFAOYSA-N;AKOS026744797;EN300-181691

Chemical Property of 3-Methoxy-3-methylbutanal

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 76.6

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC=O)OC

Technology Process of 3-Methoxy-3-methylbutanal

There total 1 articles about 3-Methoxy-3-methylbutanal 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:

tert-Amyl methyl ether (994-05-8) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetic acid methyl ester (79-20-9) + tert-pentyl formate (757-88-0) + acetaldehyde (75-07-0,9002-91-9) + acetone (67-64-1) + 3-methoxy-3-methylbutanal (181134-54-3)

Guidance literature:

With methyl nitrite; hexane; nitrogen(II) oxide; at 24.9 ℃; Rate constant; Product distribution; Mechanism; Irradiation; var. of reagent;

DOI:10.1002/kin.550270505

Reference yield: 82.0%

(E)-(2-oxo-1,2-dihydroindol-3-ylidene)acetic acid ethyl ester (21728-28-9,67502-96-9) + 3-methoxy-3-methylbutanal (181134-54-3) + (5R,6S)-5,6-diphenylmorpholin-2-one (282735-66-4) → (3S,3'S,4'R,6'S,8'R,8'aR)-1,2,3',4',8',8a'-hexahydro-6'-(2-methoxy-2-methylpropyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]oxazine]-8'-carboxylic acid ethyl ester (282735-67-5) + (3S,3'S,4'R,6'S,8'R,8'aR)-1,2,3',4',8',8a'-hexahydro-6'-(2-methyl-1-propenyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]oxazine]-8'-carboxylic acid ethyl ester + C34H36N2O6

Guidance literature:

With 3 A molecular sieve; In toluene; at 60 ℃; for 1h;

DOI:10.1016/S0040-4020(02)00630-0

Reference yield: 45.0%

3-methoxy-3-methylbutanal (181134-54-3) + (5R,6S)-5,6-diphenylmorpholin-2-one (282735-66-4) + tert-butyl (2E)-(6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate (792917-05-6) → (3S,3'S,4'R,6'S,8'R,8'aR)-1,2,3',4',8',8'a-hexahydro-6-methoxy-6'-(2-methyl-1-propenyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]-oxazine]-8'-carboxylic acid tert-butyl ester + (3S,3'S,4'R,6'S,8'R,8'aR)-1,2,3',4',8',8'a-hexahydro-6-methoxy-6'-(2-methoxy-2-methylpropyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]-oxazine]-8'-carboxylic acid tert-butyl ester (792917-10-3)

Guidance literature:

With 3 A molecular sieve; In toluene; at 20 ℃; for 14h;

DOI:10.1016/j.tet.2004.07.047

upstream raw materials:

tert-Amyl methyl ether

Downstream raw materials:

(3R,3'R,4'S,6'R,8'S,8'aS)-1,2,3',4',8',8a'-hexahydro-6'-(2-methoxy-2-methylpropyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]oxazine]-8'-carboxylic acid ethyl ester

(3S,3'S,4'R,6'S,8'R,8'aR)-1,2,3',4',8',8a'-hexahydro-6'-(2-methoxy-2-methylpropyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]oxazine]-8'-carboxylic acid ethyl ester

(3S,3'S,4'R,6'S,8'aR)-1,2,3',4',8',8'a-hexahydro-6-methoxy-6'-(2-methoxy-2-methylpropyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]-oxazine]

(3S,3'S,4'R,6'S,8'R,8'aR)-1,2,3',4',8',8'a-hexahydro-6-methoxy-6'-(2-methoxy-2-methylpropyl)-1',2-dioxo-3',4'-diphenylspiro[3H-indole-3,7'(6'H)-[1H]pyrrolo[2,1-c][1,4]-oxazine]-8'-carboxylic acid tert-butyl ester

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