(3-Methyl-but-3-enyloxymethyl)-benzene

Base Information

• Chemical Name: (3-Methyl-but-3-enyloxymethyl)-benzene
• CAS No.: 58558-53-5
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• DSSTox Substance ID: DTXSID90454972
• Nikkaji Number: J357.457A
• Wikidata: Q82276789
• Mol file: 58558-53-5.mol

Synonyms:3-methylbut-3-enoxymethylbenzene;58558-53-5;(3-methyl-but-3-enyloxymethyl)-benzene;SCHEMBL1109806;4-benzyloxy-2-methyl-1-butene;DTXSID90454972;BBQJVCVEWSBWBN-UHFFFAOYSA-N;AMY30716;((3-methylbut-3-enyloxy)methyl)benzene;{[(3-METHYLBUT-3-EN-1-YL)OXY]METHYL}BENZENE

Chemical Property of (3-Methyl-but-3-enyloxymethyl)-benzene

Chemical Property:

• PSA: 9.23000
• LogP: 3.16940
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CCOCC1=CC=CC=C1

Technology Process of (3-Methyl-but-3-enyloxymethyl)-benzene

There total 9 articles about (3-Methyl-but-3-enyloxymethyl)-benzene 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: 97.0%

2-methyl-1-buten-4-ol (763-32-6) + benzyl bromide (100-39-0) → (((3-methylbut-3-en-1-yl)oxy)methyl)benzene (58558-53-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1021/ol052456x

Reference yield: 95.0%

2-methyl-1-buten-4-ol (763-32-6) + benzyl chloride (100-44-7) → (((3-methylbut-3-en-1-yl)oxy)methyl)benzene (58558-53-5)

Guidance literature:

2-methyl-1-buten-4-ol; With sodium hydride; In N,N-dimethyl-formamide; for 0.166667h; Inert atmosphere;

benzyl chloride; In N,N-dimethyl-formamide; for 1h; Inert atmosphere;

DOI:10.1021/ol5019739

Reference yield: 91.0%

4-((E)-4-Benzyloxy-2-methyl-but-2-ene-1-sulfinyl)-morpholine (119099-69-3) → (((3-methylbut-3-en-1-yl)oxy)methyl)benzene (58558-53-5)

Guidance literature:

With boron trifluoride diethyl etherate; water; In 1,4-dioxane; at 0 ℃; for 2h;

DOI:10.1016/0040-4039(88)85135-9

upstream raw materials:

Benzyloxymethyl chloride

2-methallyltrimethylsilane

4-diphenylmethylsilyl-3-methyl-3-buten-1-ol benzyl ether

4-((E)-4-Benzyloxy-2-methyl-but-2-ene-1-sulfinyl)-morpholine

Downstream raw materials:

(+/-)-2-methyl-2-[2'-(phenylmethoxy)ethyl]oxirane

4-Bromo-3-methylbutyl benzyl ether

6-Benzyloxy-4-methyl-hexanoic acid

(2S,4R)-4-(3-Benzyloxy-1,1-dimethyl-propoxy)-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester