3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

Base Information

• Chemical Name: 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
• CAS No.: 903130-08-5
• Molecular Formula: C5H7BrN4
• Molecular Weight: 239.50
• Hs Code.: 2933990090
• Mol file: 903130-08-5.mol

Synonyms:3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-¨￠a]pyrazine;

Chemical Property of 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

Chemical Property:

• Vapor Pressure: 3.99E-06mmHg at 25°C
• Refractive Index: 1.835
• Boiling Point: 384.8 °C at 760 mmHg
• Flash Point: 186.5 °C
• PSA: 42.74000
• Density: 2.17 g/cm³
• LogP: 0.47260
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazinehydrochloride >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

There total 3 articles about 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride 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: 83.0%

3-bromo-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid tert-butyl ester (723286-80-4) → 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (903130-08-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (68774-77-6) → 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (903130-08-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogen; platinum(IV) oxide; palladium 10% on activated carbon / methanol / 34 h / 2585.81 Torr

1.2: 3 h / 20 °C

2.1: N-Bromosuccinimide; sodium hydrogencarbonate / chloroform / 2 h / 0 - 20 °C

3.1: trifluoroacetic acid / chloroform / 20 °C

With platinum(IV) oxide; N-Bromosuccinimide; palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate; trifluoroacetic acid; In methanol; chloroform;

Reference yield:

tert-butyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate (723286-79-1) → 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (903130-08-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide; sodium hydrogencarbonate / chloroform / 2 h / 0 - 20 °C

2: trifluoroacetic acid / chloroform / 20 °C

With N-Bromosuccinimide; sodium hydrogencarbonate; trifluoroacetic acid; In chloroform;

upstream raw materials:

3-bromo-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid tert-butyl ester

8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

tert-butyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate

Downstream raw materials:

3-bromo-7-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

Refernces

• 1、 -. "PHARMACOLOGICALLY ACTIVE COMPOUNDS". Paragraph 00459-00461. . Retrieved 2014/03/26.