Ethyl-di-(2-isopropylphenyl)phosphonoacetate

Base Information

• Chemical Name: Ethyl-di-(2-isopropylphenyl)phosphonoacetate
• CAS No.: 188945-44-0
• Molecular Formula: C22H29O5P
• Molecular Weight: 404.443
• DSSTox Substance ID: DTXSID701201854
• Nikkaji Number: J1.388.296G
• Mol file: 188945-44-0.mol

Synonyms:188945-44-0;Ethyl-di-(2-isopropylphenyl)phosphonoacetate;Acetic acid, 2-[bis[2-(1-methylethyl)phenoxy]phosphinyl]-, ethyl ester;Ethyl 2-bis(2-propan-2-ylphenoxy)phosphorylacetate;DTXSID701201854;MFCD28411600;[Bis(2-isopropylphenoxy)phosphinyl]acetic acid ethyl ester;Ethyl 2-[bis[2-(1-methylethyl)phenoxy]phosphinyl]acetate

Chemical Property of Ethyl-di-(2-isopropylphenyl)phosphonoacetate

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 404.17526102
• Heavy Atom Count: 28
• Complexity: 499

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CP(=O)(OC1=CC=CC=C1C(C)C)OC2=CC=CC=C2C(C)C

Technology Process of Ethyl-di-(2-isopropylphenyl)phosphonoacetate

There total 1 articles about Ethyl-di-(2-isopropylphenyl)phosphonoacetate 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: 55.0%

2-(1-methylethyl)phenol (88-69-7) + ethyl 2-(dichlorophosphinyl)acetate (36957-54-7) → ethyl 2-[bis(2-isopropylphenoxy)phosphoryl]acetate (188945-44-0)

Guidance literature:

With triethylamine; In benzene; at 25 ℃; for 1h;

DOI:10.1021/jo970057c

Reference yield: 99.0%

4-methyl-benzaldehyde (104-87-0) + ethyl 2-[bis(2-isopropylphenoxy)phosphoryl]acetate (188945-44-0) → ethyl (Z)-3-(4-methylphenyl)-2-propenoate (20511-20-0,24393-49-5,97585-04-1)

Guidance literature:

ethyl 2-[bis(2-isopropylphenoxy)phosphoryl]acetate; With N-benzyl-trimethylammonium hydroxide; In tetrahydrofuran; methanol; at -78 ℃; Inert atmosphere;

4-methyl-benzaldehyde; In tetrahydrofuran; methanol; at -78 ℃; diastereoselective reaction; Inert atmosphere;

DOI:10.1016/j.phytochem.2013.08.013

Reference yield: 99.0%

ortho-anisaldehyde (135-02-4) + ethyl 2-[bis(2-isopropylphenoxy)phosphoryl]acetate (188945-44-0) → cis-4-(2-Methoxyphenyl)but-3-enoic acid ethyl ester (289473-81-0)

Guidance literature:

ethyl 2-[bis(2-isopropylphenoxy)phosphoryl]acetate; With N-benzyl-trimethylammonium hydroxide; In tetrahydrofuran; methanol; at -78 ℃; Inert atmosphere;

ortho-anisaldehyde; In tetrahydrofuran; methanol; at -78 ℃; diastereoselective reaction; Inert atmosphere;

DOI:10.1016/j.phytochem.2013.08.013

upstream raw materials:

2-(1-methylethyl)phenol

ethyl 2-(dichlorophosphinyl)acetate

Downstream raw materials:

ethyl 2-[bis(o-isopropylphenoxy)phosphinyl]propionate

C₃₁H₄₆O₅Si₂

(2Z,4E)-ethyl 5-(cyclohex-1-en-1-yl)penta-2,4-dienoate

1-(1-cyclohexene)-ethyl-2,4-pentadienoate

Refernces