(2-((Allylamino)carbonyl)phenoxy)acetic acid

Base Information

• Chemical Name: (2-((Allylamino)carbonyl)phenoxy)acetic acid
• CAS No.: 119-45-9
• Molecular Formula: C12H13 N O4
• Molecular Weight: 235.24
• Hs Code.: 2924299090
• European Community (EC) Number: 204-326-6
• NSC Number: 59836
• DSSTox Substance ID: DTXSID30152283
• Nikkaji Number: J297.764H
• Wikidata: Q83018912
• Mol file: 119-45-9.mol

Synonyms:119-45-9;(2-((Allylamino)carbonyl)phenoxy)acetic acid;2-[2-(prop-2-enylcarbamoyl)phenoxy]acetic acid;Acetic acid, [2-[(2-propenylamino)carbonyl]phenoxy]-;[2-[(Allylamino)carbonyl]phenoxy]acetic acid;EINECS 204-326-6;2-{2-[(prop-2-en-1-yl)carbamoyl]phenoxy}acetic acid;Acetic acid, (o-(allylcarbamoyl)phenoxy)-;Acetic acid, [o-(allylcarbamoyl)phenoxy]-;Acetic acid, (o-(N-allylcarbamoyl)phenoxy)-;Acetic acid, [o-(N-allylcarbamoyl)phenoxy]-;Acetic acid, (2-((2-propenylamino)carbonyl)phenoxy)-;NSC59836;DTXSID30152283;NSC 59836;NSC-59836;AKOS024322960;2-(2-(Allylcarbamoyl)phenoxy)acetic acid;Benzamide, N-allyl-, o-(carboxymethoxy)-;N-ALLYL-2-(CARBOXYMETHOXY)BENZAMIDE;N-ALLYL-2-(CARBOXYMETHOXY)-BENZAMIDE;(2-[(Allylamino)carbonyl]phenoxy)acetic acid #;[[2-[(2-Propenylamino)carbonyl]phenyl]oxy]acetic acid

Chemical Property of (2-((Allylamino)carbonyl)phenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 7.32E-09mmHg at 25°C
• Boiling Point: 449.4°Cat760mmHg
• Flash Point: 225.6°C
• PSA: 75.63000
• Density: 1.218g/cm³
• LogP: 1.45670
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

98%,99%, ^*data from raw suppliers

[o-(Allylcarbamoyl)phenoxy]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC(=O)C1=CC=CC=C1OCC(=O)O
• Uses: [o-(Allylcarbamoyl)phenoxy]acetic Acid is an intermediate used in the synthesis of Merethoxylline Procaine (M225580), which is a mercurial diuretic.

Technology Process of (2-((Allylamino)carbonyl)phenoxy)acetic acid

There total 3 articles about (2-((Allylamino)carbonyl)phenoxy)acetic acid 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:

2-(ethoxycarbonylmethyloxy)benzamide (90074-90-1) → (2-allylcarbamoyl-phenoxy)-acetic acid (119-45-9)

Guidance literature:

With sodium; benzene; anschliessend mit Allylbromid Erwaermen und Behandeln des Reaktionsprodukts mit wss. Natronlauge;

Reference yield:

N-allyl-2-hydroxybenzamide (118-62-7) + sodium monochloroacetic acid (3926-62-3) → (2-allylcarbamoyl-phenoxy)-acetic acid (119-45-9)

Guidance literature:

With water;

Reference yield:

N-allyl-2-hydroxybenzamide (118-62-7) + chloroacetic acid ethyl ester (105-39-5) → (2-allylcarbamoyl-phenoxy)-acetic acid (119-45-9)

Guidance literature:

With ethanol; sodium ethanolate; Behandeln des Reaktionsprodukts mit wss. Natronlauge;

upstream raw materials:

N-allyl-2-hydroxybenzamide

sodium monochloroacetic acid

2-(ethoxycarbonylmethyloxy)benzamide

chloroacetic acid ethyl ester

Downstream raw materials:

(2-allylcarbamoyl-phenoxy)-acetic acid ethyl ester