4-(Dimethoxymethyl)pyrimidine

Base Information

• Chemical Name: 4-(Dimethoxymethyl)pyrimidine
• CAS No.: 25746-87-6
• Molecular Formula: C7H10 N2 O2
• Molecular Weight: 154.169
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80498345
• Wikidata: Q72468060
• Mol file: 25746-87-6.mol

Synonyms:4-(dimethoxymethyl)pyrimidine;25746-87-6;4-Dimethoxymethylpyrimidine;4-Dimethoxymethyl-pyrimidine;MFCD06738842;4-Pyrimidinecarboxaldehyde, dimethyl acetal;4-(dimethoxymethyl)-pyrimidine;SCHEMBL1640480;DTXSID80498345;QZBWJPFALVAAPM-UHFFFAOYSA-N;AMY15203;AKOS005254373;AC-7535;PB32451;pyrimidine4-carbaldehyde dimethyl acetal;BL001003;DS-10924;PD020334;SY007517;A5162;CS-0054737;FT-0646073;EN300-27875;W-206980;Z248485722

Chemical Property of 4-(Dimethoxymethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 0.549mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 196.822 °C at 760 mmHg
• PKA: 0.93±0.18(Predicted)
• Flash Point: 70.568 °C
• PSA: 44.24000
• Density: 1.112 g/cm³
• LogP: 0.76800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 107

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Dimethoxymethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=NC=NC=C1)OC
• Description: 4-Pyrimidinecarboxaldehyde, dimethyl acetal is a synthetic intermediate useful for pharmaceutical synthesis.

Technology Process of 4-(Dimethoxymethyl)pyrimidine

There total 3 articles about 4-(Dimethoxymethyl)pyrimidine 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: 70.0%

(E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one (67751-23-9,187242-85-9) + formamidine acetic acid (3473-63-0) → acetal dimethylique du pyrimidine-4 carboxaldehyde (25746-87-6)

Guidance literature:

Reference yield:

Pyruvic aldehyde dimethyl acetal (6342-56-9) → acetal dimethylique du pyrimidine-4 carboxaldehyde (25746-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1: iso-butanol / 20 h / Reflux

2: 4 h / 110 - 120 °C

In iso-butanol;

Reference yield:

→ acetal dimethylique du pyrimidine-4 carboxaldehyde (25746-87-6)

Guidance literature:

Formamidinacetat, entspr. But-3-on;

upstream raw materials:

(E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one

formamidine acetic acid

Pyruvic aldehyde dimethyl acetal

Downstream raw materials:

N-Pyrimidin-4-ylmethyl-formamide

N-Pyrimidin-4-ylmethyl-acetamide

1-(pyrimidin-4-yl)methanamine

pyrimidine-4-carboxaldehyde

Refernces

• 1、 -. "ISOXAZOLO-PYRIDAZINE DERIVATIVES". . . Retrieved 2009/06/27.