3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-

Base Information

Chemical Name:3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-
CAS No.:52535-35-0
Molecular Formula:C11H13NO
Molecular Weight:175.23
Hs Code.:2933399090
NSC Number:220264
UNII:JP42VDV0WD
DSSTox Substance ID:DTXSID20200525
Nikkaji Number:J65.788C
Wikidata:Q83073658
Mol file:52535-35-0.mol

Synonyms:52535-35-0;3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-;3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridinyl)-;JP42VDV0WD;2-Methyl-4-(6-methyl-3-pyridyl)-3-butyne-2-ol;NSC-220264;2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol;NSC 220264;BRN 1424451;NSC220264;UNII-JP42VDV0WD;5-21-03-00075 (Beilstein Handbook Reference);SCHEMBL12168593;DTXSID20200525;WLN: T6NJ B1 E1UU1XQ1&1

Suppliers and Price of 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-

Chemical Property:

Vapor Pressure:0.00123mmHg at 25°C
Boiling Point:286.5°C at 760 mmHg
Flash Point:127.1°C
PSA：33.12000
Density:1.07g/cm³
LogP:1.51240
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.099714038
Heavy Atom Count:13
Complexity:233

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC=C(C=C1)C#CC(C)(C)O

Technology Process of 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-

There total 4 articles about 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)- 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: 95.0%

: 3430-13-5
5-bromo-2-methylpyridine

: 115-19-5
2-methyl-but-3-yn-2-ol

: 52535-35-0
2-methyl-4-(6-methylpyridin-3-yl)but-3-yn-2-ol

Guidance literature:: With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diisopropylamine; at 60 ℃; for 6h;
DOI:10.1002/chem.200800056

Reference yield:

: 111770-91-3
(6-methylpyridin-3-yl)trifluoromethanesulfonate

: 115-19-5
2-methyl-but-3-yn-2-ol

: 52535-35-0
2-methyl-4-(6-methylpyridin-3-yl)but-3-yn-2-ol

Guidance literature:: With piperidine; palladium diacetate; Tri(p-tolyl)phosphine; In 1-methyl-pyrrolidin-2-one; toluene; at 40 ℃; for 16h; Reagent/catalyst; Solvent; Inert atmosphere;
DOI:10.1039/c3ra42619j

Reference yield:

: 1121-78-4
5-Hydroxy-2-methylpyridine

: 52535-35-0
2-methyl-4-(6-methylpyridin-3-yl)but-3-yn-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / dichloromethane / 1.5 h / 0 °C / Inert atmosphere

2: piperidine; palladium diacetate; Tri(p-tolyl)phosphine / toluene; 1-methyl-pyrrolidin-2-one / 16 h / 40 °C / Inert atmosphere

With piperidine; pyridine; palladium diacetate; Tri(p-tolyl)phosphine; In 1-methyl-pyrrolidin-2-one; dichloromethane; toluene;
DOI:10.1039/c3ra42619j