(R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

Base Information

• Chemical Name: (R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
• CAS No.: 114873-12-0
• Molecular Formula: C₁₄H₁₇Cl₂NO₄
• Molecular Weight: 334.199
• Hs Code.: 29223900
• DSSTox Substance ID: DTXSID201181196
• Mol file: 114873-12-0.mol

Synonyms:114873-12-0;(R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid;Boc-2,4-dichloro-D-phenylalanine;BOC-D-2,4-DICHLOROPHENYLALANINE;Boc-R-2,4-dichlorophenylalanine;D-Phenylalanine, 2,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-;Boc-2,4-Dichloro-D-Phenylalanin;(2R)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(2,4-dichlorophenyl)propanoic acid;Boc-D-Phe(2,4-Cl2)-OH;SCHEMBL4288943;KSDWBXFRQWMWHO-LLVKDONJSA-N;DTXSID201181196;MFCD01862941;(R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoicacid;AKOS015836517;AM82017;DS-4974;CS-0154583;A50122;EN300-2010692;A894108;Boc-D-Phe(2,4-Cl2)-OH, >=98.0% (TLC);N-tert-Butoxycarbonyl-D-2,4-Dichloro Phenylalanine;N-(tert-butoxycarbonyl)-2,4-dichloro-D-phenylalanine;2,4-Dichloro-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine;(R)-2-tert-butoxycarbonylamino-3-(2,4-dichlorophenyl)propionic acid;(R)-2-TERT-BUTOXYCARBONYLAMINO-3-(2,4-DICHLORO-PHENYL)-PROPIONIC ACID

Chemical Property of (R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 7.13E-10mmHg at 25°C
• Melting Point: 133-137 °C
• Boiling Point: 476.1 °C at 760 mmHg
• Flash Point: 241.8 °C
• PSA: 75.63000
• Density: 1.323 g/cm³
• LogP: 3.90470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 333.0534634
• Heavy Atom Count: 21
• Complexity: 384

Purity/Quality:

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

Boc-2,4-dichloro-D-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of (R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

There total 1 articles about (R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic 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:

C15H19Cl2NO4 (123795-39-1) → (R)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propionic acid (114873-04-0,114873-12-0,1407970-85-7)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 0 ℃; for 6h;

DOI:10.1016/j.bmcl.2010.08.053

Reference yield:

(S)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propanoic acid (114873-04-0,114873-12-0,1407970-85-7) + tert-butyl 3-amino-5-(2-methylpyridin-4-yl)benzoate (1240523-68-5) → tert-butyl 3-((S)-2-(tert-butoxycarbonyl)-3-(2,4-dichlorophenyl)propanamido)-5-(2-methylpyridin-4-yl)benzoate (1240523-70-9)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

Reference yield:

(R)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propionic acid (114873-04-0,114873-12-0,1407970-85-7) + (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(piperidin-4-yl)-4a,5,6,7,8,8a-hexahydrophthalazin-1(2H)-one hydrochloride (666748-56-7) → tert-butyl [(2R)-3-(2,4-dichlorophenyl)-1-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2(1H)-yl]piperidin-1-yl}-1-oxopropan-2-yl]carbamate (1416468-78-4)

Guidance literature:

With 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

C₁₅H₁₉Cl₂NO₄

Downstream raw materials:

tert-butyl 3-((S)-2-(tert-butoxycarbonyl)-3-(2,4-dichlorophenyl)propanamido)-5-(2-methylpyridin-4-yl)benzoate

(R)-2-amino-3-(2,4-dichloro-phenyl)-1-(1,3-dihydro-isoindol-2-yl)-propan-1-one

1-(2,4-dichlorophenyl)-N-[(1S)-1-[(2,4-dichlorophenyl)-methyl]-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopropanecarboxamide

1-(2,4-dichlorophenyl)-N-{(1S)-1-[(2,4-dichlorophenyl)-methyl]-2-oxo-2-piperazin-1-ylethyl}cyclopropanecarboxamide

Refernces