3-Methyl-2-phenoxy-1,3,2-oxazaphospholidine

Base Information

• Chemical Name: 3-Methyl-2-phenoxy-1,3,2-oxazaphospholidine
• CAS No.: 57301-49-2
• Molecular Formula: C₉H₁₂NO₂P
• Molecular Weight: 197.174
• DSSTox Substance ID: DTXSID30509612
• Mol file: 57301-49-2.mol

Synonyms:3-Methyl-2-phenoxy-1,3,2-oxazaphospholidine;57301-49-2;DTXSID30509612

Chemical Property of 3-Methyl-2-phenoxy-1,3,2-oxazaphospholidine

Chemical Property:

• PSA: 35.29000
• LogP: 2.19220
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.06056562
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCOP1OC2=CC=CC=C2

Technology Process of 3-Methyl-2-phenoxy-1,3,2-oxazaphospholidine

There total 2 articles about 3-Methyl-2-phenoxy-1,3,2-oxazaphospholidine 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: 69.0%

3-methyl-2--1,3,2-oxazaphospholidine + phenol (108-95-2,27073-41-2) → 3-methyl-2-phenoxy-1,3,2-oxazaphospholidine (57301-49-2)

Guidance literature:

for 24h; Ambient temperature;

Reference yield: 50.0%

2-chloro-3-methyl-1,3,2-oxazaphospholidine (22082-71-9) + phenol (108-95-2,27073-41-2) → 3-methyl-2-phenoxy-1,3,2-oxazaphospholidine (57301-49-2)

Guidance literature:

With triethylamine; In benzene;

Reference yield:

3-methyl-2-phenoxy-1,3,2-oxazaphospholidine (57301-49-2) + 4-fluoropyrocatechol (367-32-8) → 5-fluoro-3'-methyl-2-phenoxy-2λ5-spiro[benzo[1,3,2]dioxaphosphole-2,2'-[1,3,2]oxazaphospholidine] (62834-26-8,62860-76-8)

Guidance literature:

With chloro-diisopropyl-amine; In diethyl ether;

upstream raw materials:

2-chloro-3-methyl-1,3,2-oxazaphospholidine

phenol

Downstream raw materials:

9-methyl-5-phenoxy-2,2,3,3-tetrakis-trifluoromethyl-1,4,6-trioxa-9-aza-5λ⁵-phospha-spiro[4.4]nonane

5-fluoro-3'-methyl-2-phenoxy-2λ⁵-spiro[benzo[1,3,2]dioxaphosphole-2,2'-[1,3,2]oxazaphospholidine]

(2-Chloro-ethyl)-methyl-phosphoramidic acid 2,2-dichloro-vinyl ester phenyl ester

4,3'-dimethyl-2-phenoxy-2λ⁵-spiro[benzo[1,3,2]dioxaphosphole-2,2'-[1,3,2]oxazaphospholidine]