4-NITROPHENYL CHLOROACETATE

Base Information

• Chemical Name: 4-NITROPHENYL CHLOROACETATE
• CAS No.: 79328-69-1
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• Mol file: 79328-69-1.mol

Synonyms:1,1-diethoxy-oct-3-yne;Oct-3-inal-diaethylacetal;Octenoicacid;Octin-(3)-on-(2)-2.4-dinitro-phenylhydrazon;oct-3-yn-2-one-(2,4-dinitro-phenylhydrazone);Octen-(3)-saeure;oct-3-ynal-diethylacetal;TRANS-3-OCTENOIC ACID;Oct-3-in-2-on-(2,4-dinitro-phenylhydrazon);Oct-3-en-saeure;1,1-Diaethoxy-oct-3-in;Oct-2-en-saeure;3-Octenoic acid,tech.;

Chemical Property of 4-NITROPHENYL CHLOROACETATE

Chemical Property:

• Vapor Pressure: 0.000128mmHg at 25°C
• Melting Point: 93-95oC
• PSA: 57.53000
• LogP: 3.56600
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-NITROPHENYL CHLOROACETATE

There total 2 articles about 4-NITROPHENYL CHLOROACETATE 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:

hex-1-yne (693-02-7) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 1,1-diethoxy-oct-3-yne (79328-69-1)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, 0 deg C, 5 h, 2.) HMPT, room temperature, overnight;

DOI:10.1021/jo00339a017

Reference yield:

1-hexynyllithium (17689-03-1) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 1,1-diethoxy-oct-3-yne (79328-69-1)

Guidance literature:

With 1,4-dioxane; copper;

Reference yield:

1,1-diethoxy-oct-3-yne (79328-69-1) → 1,1-diethoxy-octane (54889-48-4) + 1,1-diethoxy-oct-3c-ene (79328-71-5) + (E)-1,1-diethoxy-3-octene (79328-70-4)

Guidance literature:

With hydrogen; Ni-Gr₂; In tetrahydrofuran; water; at 50 ℃; for 15h; under 22800 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00339a017

upstream raw materials:

1-hexynyllithium

Bromoacetaldehyde diethyl acetal

hex-1-yne

Downstream raw materials:

1,1-diethoxy-octane

1,1-diethoxy-oct-3c-ene

(E)-1,1-diethoxy-3-octene

Refernces