2,6,6-Trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-one

Base Information

• Chemical Name: 2,6,6-Trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-one
• CAS No.: 27228-60-0
• Molecular Formula: C₁₅H₁₆N₂O₂
• Molecular Weight: 256.304
• NSC Number: 142466
• DSSTox Substance ID: DTXSID60301328

Synonyms:27228-60-0;NSC142466;2,6,6-trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-one;DTXSID60301328;NSC-142466

Chemical Property of 2,6,6-Trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.25g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 256.121177757
• Heavy Atom Count: 19
• Complexity: 471

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C(C(O2)(C)C)C3=CC=CC=C3)C(=O)N1

Technology Process of 2,6,6-Trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-one

There total 1 articles about 2,6,6-Trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-one 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:

Triethyl orthoacetate (78-39-7) + 2-amino-5,5-dimethyl-4-phenyl-4,5-dihydro-furan-3-carboxylic acid amide (22109-08-6) → 2,6,6-trimethyl-5-phenyl-5,6-dihydro-3H-furo[2,3-d]pyrimidin-4-one (27228-60-0)

Guidance literature:

Reference yield:

2,6,6-trimethyl-5-phenyl-5,6-dihydro-3H-furo[2,3-d]pyrimidin-4-one (27228-60-0) → 4-chloro-2,6,6-trimethyl-5-phenyl-5,6-dihydro-furo[2,3-d]pyrimidine (27228-61-1)

Guidance literature:

With trichlorophosphate; In acetic acid;

Reference yield:

2,6,6-trimethyl-5-phenyl-5,6-dihydro-3H-furo[2,3-d]pyrimidin-4-one (27228-60-0) → N1,N1-diethyl-N4-(2,6,6-trimethyl-5-phenyl-5,6-dihydro-furo[2,3-d]pyrimidin-4-yl)-pentane-1,4-diamine (27228-62-2)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃ / acetic acid

With trichlorophosphate; In acetic acid;

upstream raw materials:

Triethyl orthoacetate

2-amino-5,5-dimethyl-4-phenyl-4,5-dihydro-furan-3-carboxylic acid amide

Downstream raw materials:

4-chloro-2,6,6-trimethyl-5-phenyl-5,6-dihydro-furo[2,3-d]pyrimidine

N¹,N¹-diethyl-N⁴-(2,6,6-trimethyl-5-phenyl-5,6-dihydro-furo[2,3-d]pyrimidin-4-yl)-pentane-1,4-diamine

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