5-Bromo-2-cyclopropylpyrimidine

Base Information

• Chemical Name: 5-Bromo-2-cyclopropylpyrimidine
• CAS No.: 304902-96-3
• Molecular Formula: C7H7BrN2
• Molecular Weight: 199.05
• Hs Code.: 2933599090
• European Community (EC) Number: 822-945-5
• DSSTox Substance ID: DTXSID60607236
• Wikidata: Q72453965
• Mol file: 304902-96-3.mol

Synonyms:5-bromo-2-cyclopropylpyrimidine;304902-96-3;5-BROMO-2-CYCLOPROPYL-PYRIMIDINE;Pyrimidine, 5-bromo-2-cyclopropyl-;MFCD14702784;SCHEMBL587475;2-cyclopropyl-5-bromo-pyrimidine;DTXSID60607236;ANURJXNEVQWODA-UHFFFAOYSA-N;AKOS015917217;PB33220;AM803669;AS-37784;SY111001;DB-026934;CS-0018650;EN300-189530;A854058

Chemical Property of 5-Bromo-2-cyclopropylpyrimidine

Chemical Property:

• Boiling Point: 255 ?C
• PKA: 0.67±0.22(Predicted)
• Flash Point: 108 ?C
• PSA: 25.78000
• Density: 1.657
• LogP: 2.11650
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 197.97926
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-?Bromo-?2-?cyclopropylpyrimidin?e ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=NC=C(C=N2)Br
• Uses: 5-?Bromo-?2-?cyclopropylpyrimidin?e is a reagent used in the synthesis of novel glucocorticoid modulators which are used in the treatment of inflammatory diseases.

Technology Process of 5-Bromo-2-cyclopropylpyrimidine

There total 3 articles about 5-Bromo-2-cyclopropylpyrimidine 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: 35.0%

cyclopropylmagnesium bromide (23719-80-4) + 5-bromo-2-iodopyrimidine (183438-24-6) → 5-bromo-2-cyclopropyl-pyrimidine (304902-96-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

Reference yield:

5-bromo-2-cyclopropyl-pyrimidine-4-carboxylic acid (304902-95-2) → 5-bromo-2-cyclopropyl-pyrimidine (304902-96-3)

Guidance literature:

at 140 ℃; for 0.133333h;

Reference yield:

→ 5-bromo-2-cyclopropyl-pyrimidine (304902-96-3)

Guidance literature:

upstream raw materials:

5-bromo-2-cyclopropyl-pyrimidine-4-carboxylic acid

cyclopropylmagnesium bromide

5-bromo-2-iodopyrimidine

Downstream raw materials:

2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Refernces

• 1、 -. "SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF". Paragraph 1352-1353. . Retrieved 2015/02/25.
• 2、 -. "NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES". Page/Page column 21. . Retrieved 2008/06/13.