A 81988

Base Information

• Chemical Name: A 81988
• CAS No.: 141887-34-5
• Molecular Formula: C23H22 N6 O2
• Molecular Weight: 414.4598
• Mol file: 141887-34-5.mol

Synonyms:3-Pyridinecarboxylicacid, 2-[propyl[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-(9CI); A 81988; Abbott 81988

Chemical Property of A 81988

Chemical Property:

• Boiling Point: 686.9°Cat760mmHg
• Flash Point: 369.2°C
• PSA: 107.89000
• Density: 1.313g/cm³
• LogP: 4.04350

Purity/Quality:

99% ^*data from raw suppliers

A81988 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of A 81988

There total 12 articles about A 81988 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: 75.0%

ethyl 2-methyl>amino>pyridine-3-carboxylate (141871-71-8) → A 81988 (141887-34-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 1.5h; Heating;

DOI:10.1021/jm00070a012

Reference yield:

2-Chloronicotinoyl chloride (49609-84-9) → A 81988 (141887-34-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 0.33 h / Heating

2: 68 percent / ethanol / 6 h / 100 °C

3: 1.) 1,3-dimethyl-3,4,5,6-tetrahydro-2-pyrimidinone, LiN(TMS)2 / 1.) THF, 0 deg C, 10 min, 2.) THF, RT, 90 min

4: 87 percent / 88percent aq. HCOOH / CH₂Cl₂ / 2 h / Ambient temperature

5: 75 percent / aq. NaOH / ethanol / 1.5 h / Heating

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; sodium hydroxide; formic acid; lithium hexamethyldisilazane; In ethanol; dichloromethane;

DOI:10.1021/jm00070a012

Reference yield:

2-chloronicotinic acid (2942-59-8) → A 81988 (141887-34-5)

Guidance literature:

Multi-step reaction with 6 steps

1: SOCl₂ / benzene / 3 h / Heating

2: 0.33 h / Heating

3: 68 percent / ethanol / 6 h / 100 °C

4: 1.) 1,3-dimethyl-3,4,5,6-tetrahydro-2-pyrimidinone, LiN(TMS)2 / 1.) THF, 0 deg C, 10 min, 2.) THF, RT, 90 min

5: 87 percent / 88percent aq. HCOOH / CH₂Cl₂ / 2 h / Ambient temperature

6: 75 percent / aq. NaOH / ethanol / 1.5 h / Heating

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; sodium hydroxide; formic acid; thionyl chloride; lithium hexamethyldisilazane; In ethanol; dichloromethane; benzene;

DOI:10.1021/jm00070a012

upstream raw materials:

ethyl 2-methyl>amino>pyridine-3-carboxylate

2-{Propyl-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-nicotinic acid methyl ester

2-Chloronicotinoyl chloride

2-chloronicotinic acid

Refernces

• 1、 De, B.,Winn, M.,Zydowsky, T. M.,Kerkman, D. J.,DeBernardis, J. F.,et al.. "Discovery of a Novel Class of Orally Active, Non-Peptide Angiotensin II Antagonists". . p. 3714 - 3717. Retrieved 2007/10/02.