[2-(3alpha-Bromopiperidino)-3-methoxyphenyl]diphenylphosphine oxide

Base Information

• Chemical Name: [2-(3alpha-Bromopiperidino)-3-methoxyphenyl]diphenylphosphine oxide
• CAS No.: 848850-67-9
• Molecular Formula: C24H25BrNO2P
• Molecular Weight: 470.346
• DSSTox Substance ID: DTXSID901169175
• Nikkaji Number: J2.070.360A

Synonyms:DTXSID901169175;(3R)-3-Bromo-1-[2-(diphenylphosphinyl)-6-methoxyphenyl]piperidine;[2-(3alpha-Bromopiperidino)-3-methoxyphenyl]diphenylphosphine oxide;848850-67-9

Chemical Property of [2-(3alpha-Bromopiperidino)-3-methoxyphenyl]diphenylphosphine oxide

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 469.08063
• Heavy Atom Count: 29
• Complexity: 539

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCC(C4)Br
• Isomeric SMILES: COC1=C(C(=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N4CCC[C@H](C4)Br

Technology Process of [2-(3alpha-Bromopiperidino)-3-methoxyphenyl]diphenylphosphine oxide

There total 1 articles about [2-(3alpha-Bromopiperidino)-3-methoxyphenyl]diphenylphosphine oxide 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: 92.0%

(S)-1-[2'-(diphenylphosphinyl)-6'-methoxyphenyl]-2-(hydroxymethyl)pyrrolidine (511553-39-2) → (R)-3-Bromo-1-[2-(diphenyl-phosphinoyl)-6-methoxy-phenyl]-piperidine (848850-67-9)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 20 ℃; for 3h;

DOI:10.1021/jo0479967

Reference yield: 82.0%

(R)-3-Bromo-1-[2-(diphenyl-phosphinoyl)-6-methoxy-phenyl]-piperidine (848850-67-9) + N-cyclohexyl-cyclohexanamine (101-83-7) → Dicyclohexyl-{(S)-1-[2-(diphenyl-phosphinoyl)-6-methoxy-phenyl]-pyrrolidin-2-ylmethyl}-amine (848850-74-8)

Guidance literature:

With potassium carbonate; In acetonitrile; for 6h; Heating;

DOI:10.1021/jo0479967

Reference yield: 61.0%

(R)-3-Bromo-1-[2-(diphenyl-phosphinoyl)-6-methoxy-phenyl]-piperidine (848850-67-9) + 2,2'-iminobis[ethanol] (111-42-2) → 2-[{(R)-1-[2-(Diphenyl-phosphinoyl)-6-methoxy-phenyl]-piperidin-3-yl}-(2-hydroxy-ethyl)-amino]-ethanol + 2-[{(S)-1-[2-(Diphenyl-phosphinoyl)-6-methoxy-phenyl]-pyrrolidin-2-ylmethyl}-(2-hydroxy-ethyl)-amino]-ethanol (848850-76-0)

Guidance literature:

With potassium carbonate; In acetonitrile; for 6h; Heating;

DOI:10.1021/jo0479967

upstream raw materials:

(S)-1-[2'-(diphenylphosphinyl)-6'-methoxyphenyl]-2-(hydroxymethyl)pyrrolidine

Downstream raw materials:

(R)-1'-[2-(Diphenyl-phosphinoyl)-6-methoxy-phenyl]-[1,3']bipiperidinyl

1-{(S)-1-[2-(Diphenyl-phosphinoyl)-6-methoxy-phenyl]-pyrrolidin-2-ylmethyl}-piperidine

4-{(S)-1-[2-(Diphenyl-phosphinoyl)-6-methoxy-phenyl]-pyrrolidin-2-ylmethyl}-morpholine

({(S)-1-[2-(Diphenyl-phosphinoyl)-6-methoxy-phenyl]-pyrrolidin-2-ylmethyl}-ethoxycarbonylmethyl-amino)-acetic acid ethyl ester

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