tert-Butyl 6-(O-Phosphorylcholine)hydroxyhexanoate

Base Information

• Chemical Name: tert-Butyl 6-(O-Phosphorylcholine)hydroxyhexanoate
• CAS No.: 73839-23-3
• Molecular Formula: C₁₅H₃₂NO₆P
• Molecular Weight: 353.396
• Mol file: 73839-23-3.mol

Synonyms:tert-Butyl 6-(O-Phosphorylcholine)hydroxyhexanoate;4-Hydroxy-N,N,N,13,13-pentaMethyl-11-oxo-3,5,12-trioxa-4-phosphatetradecan-1-aMiniuM 4-Oxide

Chemical Property of tert-Butyl 6-(O-Phosphorylcholine)hydroxyhexanoate

Chemical Property:

• PSA: 94.70000
• LogP: 3.16650
• Solubility.: Water

Purity/Quality:

98%Min ^*data from raw suppliers

tert-Butyl6-(O-Phosphorylcholine)hydroxyhexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-Butyl 6-(O-Phosphorylcholine)hydroxyhexanoate

There total 4 articles about tert-Butyl 6-(O-Phosphorylcholine)hydroxyhexanoate 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: 40.0%

tert-butyl 6-(O-(2-bromoethyl)phosphoryl)hydroxyhexanoate (73839-25-5) + trimethylamine (75-50-3) → 6-(O-phosphorylcholine)hydroxyhexanoic acid (73839-24-4) + tert-butyl 6-(O-phosphorylcholine)hydroxyhexanoate (73839-23-3)

Guidance literature:

In chloroform; for 8h; Heating;

DOI:10.1021/jo01303a029

Reference yield:

6-bromohexanoic acid (4224-70-8) → tert-butyl 6-(O-phosphorylcholine)hydroxyhexanoate (73839-23-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 93 percent / H₂SO₄ / CH₂Cl₂ / Ambient temperature

2: 1) sodium formate, 2) KOH / 1) DMF, a) 110 deg C, 4h, b) RT, 2 days, 2) H₂O, 30-40 deg C, 4h

3: 1) triethylamine, 2) pyridine, H₂O / 1) RT, 1h, 2) RT

4: 40 percent / CHCl₃ / 8 h / Heating

With pyridine; potassium hydroxide; sulfuric acid; water; sodium formate; triethylamine; In dichloromethane; chloroform;

DOI:10.1021/jo01303a029

Reference yield:

tert-butyl 6-bromohexanoate (65868-63-5) → tert-butyl 6-(O-phosphorylcholine)hydroxyhexanoate (73839-23-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1) sodium formate, 2) KOH / 1) DMF, a) 110 deg C, 4h, b) RT, 2 days, 2) H₂O, 30-40 deg C, 4h

2: 1) triethylamine, 2) pyridine, H₂O / 1) RT, 1h, 2) RT

3: 40 percent / CHCl₃ / 8 h / Heating

With pyridine; potassium hydroxide; water; sodium formate; triethylamine; In chloroform;

DOI:10.1021/jo01303a029

upstream raw materials:

tert-butyl 6-(O-(2-bromoethyl)phosphoryl)hydroxyhexanoate

trimethylamine

6-bromohexanoic acid

tert-butyl 6-bromohexanoate

Downstream raw materials:

p-nitrophenyl 6-(O-phosphorylcholine)hydroxyhexanoate

6-(O-phosphorylcholine)hydroxyhexanoic acid