Fmoc-L-beta-Homoarginine(Pmc)

Base Information

• Chemical Name: Fmoc-L-beta-Homoarginine(Pmc)
• CAS No.: 700377-76-0
• Molecular Formula: C₃₆H₄₄N₄O₇S
• Molecular Weight: 676.834
• DSSTox Substance ID: DTXSID10477769
• Mol file: 700377-76-0.mol

Synonyms:700377-76-0;Fmoc-L-beta-Homoarginine(Pmc);(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(3-((2,2,5,7,8-pentamethylchroman-6-yl)sulfonyl)guanidino)hexanoic acid;(3S)-6-[[Amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;Fmoc-L-|A-homoarginine(Pmc);SCHEMBL4430880;DTXSID10477769;MGKMEQWQKICWRD-DEOSSOPVSA-N;(3S)-3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-6-{N'-[(2,2,5,7,8-PENTAMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-YL)SULFONYL]CARBAMIMIDAMIDO}HEXANOIC ACID;AKOS015948925;FD10091;AS-48803;CS-0179108;Fmoc-beta-Homoarg(Pmc)-OH, >=95.0% (HPLC);(3S)-3-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]-6-[[[[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]amino](imino)methyl]amino]hexanoic acid;(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-{[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]carbamimidamido}hexanoic acid;(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-(3-(2,2,5,7,8-pentamethylchroman-6-ylsulfonyl)guanidino)hexanoic acid

Chemical Property of Fmoc-L-beta-Homoarginine(Pmc)

Chemical Property:

• PSA: 175.29000
• LogP: 8.03350
• Storage Temp.: 2-8°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 676.29307093
• Heavy Atom Count: 48
• Complexity: 1250

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-N-[2- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCCC(CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
• Isomeric SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C

Technology Process of Fmoc-L-beta-Homoarginine(Pmc)

There total 2 articles about Fmoc-L-beta-Homoarginine(Pmc) 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: 50.0%

C36H42N6O6S → Fmoc-Nω-(2,2,5,7,8-pentamethylchromane-6-sulfonyl)-L-β-homoarginine (700377-76-0)

Guidance literature:

With 4-methyl-morpholine; silver trifluoroacetate; In tetrahydrofuran; water; for 22.5h;

DOI:10.1021/ol034977v

Reference yield:

Fmoc-Arg(Pbf)-OH (119831-72-0,157774-30-6) → Fmoc-Nω-(2,2,5,7,8-pentamethylchromane-6-sulfonyl)-L-β-homoarginine (700377-76-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: i-BuOCOCl; NMM / tetrahydrofuran / 0.33 h / -16 °C

1.2: 40 percent / tetrahydrofuran; diethyl ether / 1 h

2.1: 50 percent / AgO₂CCF₃; NMM / tetrahydrofuran; H₂O / 22.5 h

With 4-methyl-morpholine; silver trifluoroacetate; isobutyl chloroformate; In tetrahydrofuran; water;

DOI:10.1021/ol034977v

Reference yield:

(S,S)-trans-N-(9-fluorenylmethoxycarbonyl)-2-aminocyclohexanecarboxylic acid (312965-07-4) + Fmoc-Nω-(2,2,5,7,8-pentamethylchromane-6-sulfonyl)-L-β-homoarginine (700377-76-0) → C63H111N19O9 (1610960-65-0)

Guidance literature:

Fmoc-Nω-(2,2,5,7,8-pentamethylchromane-6-sulfonyl)-L-β-homoarginine; With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 70 ℃; for 0.2h; Microwave irradiation;

In N,N-dimethyl-formamide; at 80 ℃; for 0.1h; Microwave irradiation;

(S,S)-trans-N-(9-fluorenylmethoxycarbonyl)-2-aminocyclohexanecarboxylic acid; Fmoc-Nω-(2,2,5,7,8-pentamethylchromane-6-sulfonyl)-L-β-homoarginine; Further stages;

DOI:10.1021/cb500203e

upstream raw materials:

Fmoc-Arg(Pbf)-OH

Downstream raw materials:

H-h-β-Arg-Arg-Pro-Tyr-Ile-Leu-OH

H-Arg-h-β-Arg-Pro-Tyr-Ile-Leu-OH

β³Tyr-(ACHC-β³Val-β³Arg)3

C₆₇H₁₂₂N₂₀O₁₁

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