P276-00 (free base)

Base Information

• Chemical Name: P276-00 (free base)
• CAS No.: 920113-02-6
• Molecular Formula: C₂₁H₂₀ClNO₅
• Molecular Weight: 401.847
• Mol file: 920113-02-6.mol

Synonyms:(+)-trans-2-(2-chloro-phenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one

Chemical Property of P276-00 (free base)

Chemical Property:

• Boiling Point: 603.3±55.0 °C(Predicted)
• PKA: 6.39±0.40(Predicted)
• Density: 1.429±0.06 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of P276-00 (free base)

There total 14 articles about P276-00 (free base) 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: 70.0%

(+)-trans-2-(2-chloro-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one (920113-01-5) → (+)-trans-2-(2-chloro-phenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one (920113-02-6)

Guidance literature:

With pyridine hydrochloride salt; In neat liquid; at 180 ℃; for 1.5h;

Reference yield:

(-)-trans-[1-methyl-3-(2,4,6-trimethoxyphenyl)pyrrolidin-2-yl]methanol (920112-97-6) → (+)-trans-2-(2-chloro-phenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one (920113-02-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: acetic acid / 40 °C / Inert atmosphere

1.2: 25 - 70 °C / Inert atmosphere

2.1: triethylamine / dichloromethane / -5 - 30 °C / Inert atmosphere

3.1: sodium hydride / 2-methyltetrahydrofuran / -5 - 0 °C / Inert atmosphere

3.2: 25 - 30 °C

4.1: pyridine hydrochloride; pyridine / 135 - 175 °C

With pyridine; pyridine hydrochloride; sodium hydride; acetic acid; triethylamine; In 2-methyltetrahydrofuran; dichloromethane;

Reference yield:

ortho-chlorobenzoic acid (118-91-2) → (+)-trans-2-(2-chloro-phenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one (920113-02-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: N,N-dimethyl-formamide; oxalyl dichloride / di-isopropyl ether / 5 - 30 °C

2.1: triethylamine / dichloromethane / -5 - 30 °C / Inert atmosphere

3.1: sodium hydride / 2-methyltetrahydrofuran / -5 - 0 °C / Inert atmosphere

3.2: 25 - 30 °C

4.1: pyridine hydrochloride; pyridine / 135 - 175 °C

With pyridine; oxalyl dichloride; pyridine hydrochloride; sodium hydride; triethylamine; N,N-dimethyl-formamide; In 2-methyltetrahydrofuran; dichloromethane; di-isopropyl ether;

upstream raw materials:

(+)-trans-2-(2-chloro-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one

(±)-trans-[1-methyl-3-(2,4,6-trimethoxyphenyl)pyrrolidin-2-yl]methanol

(-)-trans-[1-methyl-3-(2,4,6-trimethoxyphenyl)pyrrolidin-2-yl]methanol

C₁₅H₂₃NO₄*C₁₈H₁₄O₈

Downstream raw materials:

(+)-2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4H-chromen-4-one hydrochloride