tert-butyl 2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

Base Information

• Chemical Name: tert-butyl 2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
• CAS No.: 949922-62-7
• Molecular Formula: C12H16 Br N O2 S
• Molecular Weight: 318.235
• Hs Code.: 2934999090
• European Community (EC) Number: 960-262-5
• DSSTox Substance ID: DTXSID90598401
• Mol file: 949922-62-7.mol

Synonyms:949922-62-7;tert-butyl 2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate;tert-butyl 2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;N-Boc-2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;MFCD09878703;tert-butyl 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4h)carboxylate;tert-Butyl 2-bromo-67-dihydrothieno[32-c]pyridine-5(4H)-carboxylate;2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid tert-butyl ester;ALVKHVFHUNINLV-UHFFFAOYSA-N;tert-butyl 2-bromo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate;SCHEMBL1017283;DTXSID90598401;BCP19278;SC1751;tert-butyl 2-bromo-4H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate;AKOS015841202;CS-W022988;DS-10828;SY006754;DB-028063;AM20120372;4,7,10-TRIOXATRIDECAN-1,13-DIAMINE;EN300-263460;A845147;J-524437;Z1470874030;tert-butyl 2-bromanyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;Tert-butyl 2-bromo-6,7-dihydrothieno-[3,2-c]pyridine-5(4H)-carboxylate;tert-butyl2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

Chemical Property of tert-butyl 2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

Chemical Property:

• Vapor Pressure: 4.59E-06mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 382.8°Cat760mmHg
• PKA: -1.62±0.20(Predicted)
• Flash Point: 185.3°C
• PSA: 57.78000
• Density: 1.445g/cm³
• LogP: 3.74170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 317.00851
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)Br

Technology Process of tert-butyl 2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

There total 6 articles about tert-butyl 2-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate 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: 93.0%

6,7-dihydro-4H-thieno[3,2-c]-pyridine-5-carboxylic acid tert-butyl ester (230301-73-2) → 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylic acid tert-butyl ester (949922-62-7)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃;

Reference yield: 88.32%

di-tert-butyl dicarbonate (24424-99-5) + 6,7-dihydro-4H-thieno[3,2-c]pyridine hydrochloride (28783-41-7) → 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylic acid tert-butyl ester (949922-62-7)

Guidance literature:

di-tert-butyl dicarbonate; 6,7-dihydro-4H-thieno[3,2-c]pyridine hydrochloride; With tert-butyl methyl ether; sodium hydroxide; In water; at 0 ℃;

With bromine; In water; at 0 - 20 ℃; for 1.5h;

DOI:10.1002/cbdv.201800550

Reference yield:

2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrobromide + 6,7-dihydro-4H-thieno[3,2-c]-pyridine-5-carboxylic acid tert-butyl ester (230301-73-2) + (Boc)2 O → 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylic acid tert-butyl ester (949922-62-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane;

upstream raw materials:

6,7-dihydro-4H-thieno[3,2-c]-pyridine-5-carboxylic acid tert-butyl ester

6,7-dihydro-4H-thieno[3,2-c]pyridine hydrochloride

2-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

di-tert-butyl dicarbonate

Downstream raw materials:

prasugel

5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

2-(N-morpholinyl)-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4.5.6.7-tetrahydro-thieno-[3,2-c]pyridine

5-tert-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid