CID 6994659

Base Information

• Chemical Name: CID 6994659
• CAS No.: 2212-75-1
• Molecular Formula: C14H20N2O4
• Molecular Weight: 280.324
• Hs Code.: 29242990
• Mol file: 2212-75-1.mol

Synonyms:

Chemical Property of CID 6994659

Chemical Property:

• Melting Point: 226-231 °C (dec.)(lit.)
• Refractive Index: 1,512
• Boiling Point: 497 °C at 760 mmHg
• PKA: 3.90±0.21(Predicted)
• Flash Point: 254.4 °C
• PSA: 101.65000
• Density: 1.206 g/cm³
• LogP: 2.58620
• Storage Temp.: −20°C
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 280.14230712
• Heavy Atom Count: 20
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

N-alpha-Z-L-lysine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(CCCC[NH3+])C(=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]
• Uses: Educt for the convenient preparation of L-a-aminoadipic acid. N2-[(Phenylmethoxy)carbonyl]-L-lysine id used in the synthesis of hydroxamic acids and mycobacterium inhibitors.

Technology Process of CID 6994659

There total 19 articles about CID 6994659 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: 99.0%

Nε-(allyloxycarbonyl-L-isoleucyl)-Nα-benzyloxycarbonyl-L-lysine (1413890-77-3) → N2-[(benzyloxy)carbonyl]-L-lysine (2212-75-1) + N-Alloc homoserine lactone

Guidance literature:

With hydrogenchloride; bromocyane; In tetrahydrofuran; at 47 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ja308620h

Reference yield:

Nα-benzyloxycarbonyl-L-lysine p-nitrophenyl ester (4272-71-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N2-[(benzyloxy)carbonyl]-L-lysine (2212-75-1)

Guidance literature:

With water; at 21 ℃; Kinetics; Thermodynamic data; Mechanism; pH dependence of the rate constant and catalytic effect of amino acid, E(act.), ΔS(excit.);

Reference yield:

p-nitrophenyl Nα-(benzyloxycarbonyl)-L-lysinate hydrochloride → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N2-[(benzyloxy)carbonyl]-L-lysine (2212-75-1)

Guidance literature:

With tris(hydroxymethyl)aminomethane buffer; α-chymotrypsin; In water; acetonitrile; at 25 ℃; pH=7.6; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1021/jo0265075

upstream raw materials:

2(S)-2-amino-6-(benzylideneamino)hexanoic acid

benzyl chloroformate

N^α-benzyloxycarbonyl-L-lysine p-nitrophenyl ester

Z-Lys(Boc)-OH

Downstream raw materials:

Boc-Tyr(Bzl)-D-Met-Gly-Phe-Pro-Z-Lys

(S)-6-acetoxy-2-(benzyloxycarbonyl)aminohexanoic acid

(S)-2-(((benzyloxy)carbonyl)amino)-6-hydroxyhexanoic acid

(2S)-2-([(benzyloxy)carbonyl]amino)hex-5-enoic acid

Refernces

• 1、 Hancock, G.,Galpin, I. J.,Morgan, B. A.. "SIDE REACTIONS AND CADMIUM CATALYSED REMOVAL OF THE TRICHLOROETHOXYCARBONYL (TROC) PROTECTING GROUP.". . p. 249 - 252. Retrieved 1982.
• 2、 -. "CHEMICAL CROSSLINKERS AND COMPOSITIONS THEREOF". . . Retrieved 2014/09/16.
• 3、 Rhodes, Allison J.,Deming, Timothy J.. "Tandem catalysis for the preparation of cylindrical polypeptide brushes". supporting information. p. 19463 - 19467. Retrieved 2013/02/21.