2-Methyl-2-buten-1-OL

Base Information

• Chemical Name: 2-Methyl-2-buten-1-OL
• CAS No.: 497-02-9
• Molecular Formula: C5H10O
• Molecular Weight: 86.1338
• European Community (EC) Number: 225-127-0,842-721-0
• UNII: FF5W0ROP10
• DSSTox Substance ID: DTXSID2063553,DTXSID70197971
• Nikkaji Number: J463.446B,J102.082J
• Wikidata: Q27277958
• Metabolomics Workbench ID: 46565
• Mol file: 497-02-9.mol

Synonyms:(E)-2-methyl-2-buten-1-ol;2-methyl-2-buten-1-ol;2-methyl-2-buten-1-ol, (E)-isomer;2-methyl-2-buten-1-ol, (Z)-isomer

Chemical Property of 2-Methyl-2-buten-1-OL

Chemical Property:

• Vapor Pressure: 2.38mmHg at 25°C
• Boiling Point: 141.5°C at 760 mmHg
• PKA: 14.87±0.10(Predicted)
• Flash Point: 50.2°C
• PSA: 20.23000
• Density: 0.844g/cm³
• LogP: 0.94490
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 86.073164938
• Heavy Atom Count: 6
• Complexity: 55

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)CO
• Isomeric SMILES: C/C=C(\C)/CO

Technology Process of 2-Methyl-2-buten-1-OL

There total 27 articles about 2-Methyl-2-buten-1-OL 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: 55.0%

Tiglic acid (80-59-1) → 2-methyl-2-buten-1-ol (497-02-9,19319-26-7,4675-87-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

Reference yield: 50.0%

2-(1-chloroethyl)-2-methyloxirane (42710-84-9) → 2-methyl-2-buten-1-ol (497-02-9,19319-26-7,4675-87-0)

Guidance literature:

With lithium; In tetrahydrofuran; -78 deg C to room temp., overnight;

DOI:10.1016/0040-4020(95)90943-Q

Reference yield:

selenium(IV) oxide (7446-08-4) + 2-methyl-but-2-ene (513-35-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-methylbut-2-enal (497-03-0) + 2-methyl-2-buten-1-ol (497-02-9,19319-26-7,4675-87-0) + isoprene (78-79-5,9003-31-0)

Guidance literature:

upstream raw materials:

(E)-2-methyl-2-butenoate

(Z)-2-Methyl-2-buten-1-amin

(E)-2-Methyl-2-buten-1-amin

2-methylbut-2-enal

Downstream raw materials:

tiglyl bromide

trans-1-chloro-2-methylbut-2-ene

E-3-methyl-4-(benzyloxy)-2-butene

(E)-2-methyl-2-butenyl p-toluenesulfinate

Refernces

• 1、 Zhou, Yangyang,Li, Zihao,Liu, Yanbo,Huo, Jia,Chen, Chen,Li, Qiling,Niu, Songyang,Wang, Shuangyin. "Regulating Hydrogenation Chemoselectivity of α,β-Unsaturated Aldehydes by Combination of Transfer and Catalytic Hydrogenation". . p. 1746 - 1750. Retrieved 2020/02/25.
• 2、 Li, Chenyue,Ke, Changxuan,Han, Ruirui,Fan, Guoli,Yang, Lan,Li, Feng. "The remarkable promotion of in situ formed Pt-cobalt oxide interfacial sites on the carbonyl reduction to allylic alcohols". . p. 78 - 87. Retrieved 2018/06/06.