4-Neopentyloxypyrimidine-2-thiol

Base Information

Chemical Name:4-Neopentyloxypyrimidine-2-thiol
CAS No.:119612-61-2
Molecular Formula:C₉H₁₄N₂OS
Molecular Weight:198.289
Hs Code.:
DSSTox Substance ID:DTXSID70152525
Nikkaji Number:J304.526I
Mol file:119612-61-2.mol

Synonyms:4-Neopentyloxypyrimidine-2-thiol;119612-61-2;DTXSID70152525;4-(2,2-Dimethylpropyloxy)pyrimidine-2-thiol

Suppliers and Price of 4-Neopentyloxypyrimidine-2-thiol

Supply Marketing:

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

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Chemical Property of 4-Neopentyloxypyrimidine-2-thiol

Chemical Property:

Vapor Pressure:0.00219mmHg at 25°C
Melting Point:198-200 °C(Solv: methanol (67-56-1))
Boiling Point:289.5°C at 760 mmHg
PKA:6.36±0.10(Predicted)
Flash Point:128.9°C
PSA：73.81000
Density:1.12g/cm³
LogP:2.19020
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:198.08268425
Heavy Atom Count:13
Complexity:263

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)COC1=CC=NC(=S)N1

Technology Process of 4-Neopentyloxypyrimidine-2-thiol

There total 3 articles about 4-Neopentyloxypyrimidine-2-thiol 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: 7.0%

: 125189-20-0
2-chloro-4-neopentyloxypyrimidine

: 119612-61-2
4-neopentyl-2-thiouracil

: 125189-21-1
2-<(methylamino)(methylimino)methylthio>-4-neopentyloxypyrimidine

Guidance literature:: With N,N-dimethylthiourea; In various solvent(s); at 60 ℃; for 15h;

Reference yield: 1.0%

: 125189-20-0
2-chloro-4-neopentyloxypyrimidine

: 534-13-4
N,N-dimethylthiourea

: 119612-61-2
4-neopentyl-2-thiouracil

: 125189-21-1
2-<(methylamino)(methylimino)methylthio>-4-neopentyloxypyrimidine

Guidance literature:: In various solvent(s); at 60 ℃; for 15h;

Reference yield:

: 75-84-3
2,2-dimethyl-propanol-1

: 119612-61-2
4-neopentyl-2-thiouracil

Guidance literature:: Multi-step reaction with 2 steps

1: 1) MeONa / 1) methanol, 2) toluene, r.t. overnight

2: 1 percent / N,N'-dimethylthiourea / various solvent(s) / 15 h / 60 °C

With sodium methylate; N,N-dimethylthiourea; In various solvent(s);