Boc-2,5-difluoro-D-phenylalanine

Base Information

• Chemical Name: Boc-2,5-difluoro-D-phenylalanine
• CAS No.: 261380-31-8
• Molecular Formula: C14H17 F2 N O4
• Molecular Weight: 301.29
• European Community (EC) Number: 676-410-4
• DSSTox Substance ID: DTXSID40462789
• Wikidata: Q76416968
• Mol file: 261380-31-8.mol

Synonyms:Boc-2,5-difluoro-D-phenylalanine;261380-31-8;D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2,5-difluoro-;(2R)-3-(2,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;(r)-2-tert-butoxycarbonylamino-3-(2,5-difluoro-phenyl)-propionic acid;(2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,5-difluorophenyl)propanoic acid;(R)-2-((tert-Butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoic acid;(r)-2-(tert-butoxycarbonylamino)-3-(2,5-difluorophenyl)propanoic acid;MFCD07372001;SCHEMBL268951;DTXSID40462789;DYSZJZJRRBKIDS-LLVKDONJSA-N;AKOS015994901;AS-36951;CS-0171842;(R)-2-((tert-Butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoicacid;(R)-2-tert-butoxycarbonylamino-3-(2,5-difluorophenyl)-propionic acid;(2R)-3-(2, 5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Chemical Property of Boc-2,5-difluoro-D-phenylalanine

Chemical Property:

• Vapor Pressure: 5.77E-08mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 424.5°C at 760 mmHg
• PKA: 3.80±0.12(Predicted)
• Flash Point: 210.6°C
• PSA: 75.63000
• Density: 1.27g/cm³
• LogP: 2.87610
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 301.11256435
• Heavy Atom Count: 21
• Complexity: 384

Purity/Quality:

97% ^*data from raw suppliers

(R)-2-((tert-Butoxycarbonyl)amino)-3-(2,5-difluorophenyl)propanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=C(C=CC(=C1)F)F)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC1=C(C=CC(=C1)F)F)C(=O)O

Technology Process of Boc-2,5-difluoro-D-phenylalanine

There total 5 articles about Boc-2,5-difluoro-D-phenylalanine 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:

(R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine methyl ester (837430-11-2) → (R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine (261380-31-8,261165-16-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1021/jm0493156

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine (261380-31-8,261165-16-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aq. HCl / acetonitrile / 16 h / 20 °C

1.2: 18.7 g / triethylamine / CH₂Cl₂ / 6 h / 20 °C

2.1: aq. LiOH / tetrahydrofuran / 16 h / 20 °C

With hydrogenchloride; lithium hydroxide; In tetrahydrofuran; acetonitrile;

DOI:10.1021/jm0493156

Reference yield:

2-(bromomethyl)-1,4-difluorobenzene (85117-99-3) → (R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine (261380-31-8,261165-16-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: n-BuLi / tetrahydrofuran / 0.33 h / -78 °C

1.2: 75 percent / tetrahydrofuran / 3.5 h / -78 °C

2.1: aq. HCl / acetonitrile / 16 h / 20 °C

2.2: 18.7 g / triethylamine / CH₂Cl₂ / 6 h / 20 °C

3.1: aq. LiOH / tetrahydrofuran / 16 h / 20 °C

With hydrogenchloride; lithium hydroxide; n-butyllithium; In tetrahydrofuran; acetonitrile;

DOI:10.1021/jm0493156

upstream raw materials:

(R)-N-(1,1-dimethylethoxycarbonyl)-2,5-difluorophenylalanine methyl ester

di-tert-butyl dicarbonate

2-(bromomethyl)-1,4-difluorobenzene

(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-[(2',5'-difluorophenyl)methyl]-5-isopropylpyrazine

Downstream raw materials:

(R)-2-tert-butoxycarbonylamino-3-(2,5-difluorophenyl)-propionic acid 4-nitrophenyl ester

[(1R,2S)-3-(3-tert-butylcarbamoyl-6-trifluoromethyl-pyridin-2-yl)-1-(2,5-difluoro-benzyl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester

[(R)-2-(2,5-difluoro-phenyl)-1-(methoxy-methyl-carbamoyl)-ethyl]-carbamic acid tert-butyl ester

(R)-3-[(1,1-dimethylethoxycarbonyl)amino]-1-diazo-4-(2,5-difluorophenyl)butan-2-one

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 261380-31-8 (2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2,5-DIFLUOROPHENYL)PROPANOIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send