2-amino-2-(2,4-difluorophenyl)acetic Acid

Base Information

• Chemical Name: 2-amino-2-(2,4-difluorophenyl)acetic Acid
• CAS No.: 240409-02-3
• Molecular Formula: C₈H₇F₂NO₂
• Molecular Weight: 187.146
• Hs Code.: 2922499990
• European Community (EC) Number: 857-734-7
• DSSTox Substance ID: DTXSID70371799
• ChEMBL ID: CHEMBL382622
• Mol file: 240409-02-3.mol

Synonyms:2-amino-2-(2,4-difluorophenyl)acetic Acid;240409-02-3;2,4-DIFLUORO-DL-PHENYLGLYCINE;amino(2,4-difluorophenyl)acetic acid;Amino-(2,4-difluoro-phenyl)-acetic acid;CHEMBL382622;alpha-Amino-2,4-difluorobenzeneacetic acid;D07QGX;2,4-difluorophenyl-DL-glycine;SCHEMBL1115280;DTXSID70371799;COIWYFIMAXMSKX-UHFFFAOYSA-N;BDBM50179695;CL9307;MFCD02662503;AKOS000170674;AKOS016051288;AB05376;AB33010;PS-6697;PD180282;2-amino-2-(2,4-difluorophenyl)aceticAcid;BB 0249675;CS-0120059;FT-0691426;EN300-88022;(2R)-2-amino-2-(2,4-difluorophenyl)acetic acid;A902644;W-206868;Z317024642;(2S)-2-AMINO-2-(2,4-DIFLUOROPHENYL)ACETIC ACID

Chemical Property of 2-amino-2-(2,4-difluorophenyl)acetic Acid

Chemical Property:

• Vapor Pressure: 0.00235mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 276.2°Cat760mmHg
• PKA: 1.62±0.10(Predicted)
• Flash Point: 120.8°C
• PSA: 63.32000
• Density: 1.442g/cm³
• LogP: 1.74950
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 187.04448479
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-2-[2- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)C(C(=O)O)N

Technology Process of 2-amino-2-(2,4-difluorophenyl)acetic Acid

There total 1 articles about 2-amino-2-(2,4-difluorophenyl)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: 59.5%

sodium cyanide (773837-37-9) + 2,4-difluorobenzaldehyde (1550-35-2) → 2-amino-2-(2,4-difluorophenyl)acetic acid (240409-02-3)

Guidance literature:

sodium cyanide; With ammonium hydroxide; ammonium chloride; at 0 - 20 ℃; for 0.583333h;

2,4-difluorobenzaldehyde; In methanol; at 0 - 20 ℃;

With hydrogenchloride; acetic acid; In methanol; water; at 100 - 105 ℃; for 5h;

Reference yield:

2-amino-2-(2,4-difluorophenyl)acetic acid (240409-02-3) → 1-(5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-1H-pyrrol-3-yl)-N-methylmethanamine tartaric acid

Guidance literature:

Multi-step reaction with 7 steps

1.1: sodium acetate / methanol / 4 h / 60 °C

2.1: triethylamine; acetic anhydride / 0.5 h / 140 °C

2.2: 0.5 h / 0 °C

3.1: methanol; tetrahydrofuran; diethyl ether / 48 h / 20 °C

4.1: sodium hydride / N,N-dimethyl-formamide; paraffin oil / 0.17 h / 20 °C

4.2: 1 h / 20 °C

5.1: diisobutylaluminium hydride / tetrahydrofuran / 1 h / 0 - 20 °C

5.2: Celite / 1 h / 20 °C

6.1: methanol / 0.5 h / 20 °C

6.2: 0.5 h / 20 °C

7.1: methanol / 48 h / 20 °C

With sodium acetate; acetic anhydride; sodium hydride; diisobutylaluminium hydride; triethylamine; In tetrahydrofuran; methanol; diethyl ether; N,N-dimethyl-formamide; paraffin oil;

Reference yield:

2-amino-2-(2,4-difluorophenyl)acetic acid (240409-02-3) → 1-(5-(2,4-difluorophenyl)-1-((3-fluorophenyl)sulfonyl)-4-methoxy-1H-pyrrol-3-yl)-N-methylmethanamine fumaric acid

Guidance literature:

Multi-step reaction with 7 steps

1.1: sodium acetate / methanol / 4 h / 60 °C

2.1: triethylamine; acetic anhydride / 0.5 h / 140 °C

2.2: 0.5 h / 0 °C

3.1: methanol; tetrahydrofuran; diethyl ether / 48 h / 20 °C

4.1: sodium hydride / N,N-dimethyl-formamide; paraffin oil / 0.17 h / 20 °C

4.2: 1 h / 20 °C

5.1: diisobutylaluminium hydride / tetrahydrofuran / 1 h / 0 - 20 °C

5.2: Celite / 1 h / 20 °C

6.1: methanol / 0.5 h / 20 °C

6.2: 0.5 h / 20 °C

7.1: methanol / 48 h / 20 °C

With sodium acetate; acetic anhydride; sodium hydride; diisobutylaluminium hydride; triethylamine; In tetrahydrofuran; methanol; diethyl ether; N,N-dimethyl-formamide; paraffin oil;

upstream raw materials:

sodium cyanide

2,4-difluorobenzaldehyde

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