Ethyl 2-{[(4-chlorophenyl)methyl]amino}acetate

Base Information

• Chemical Name: Ethyl 2-{[(4-chlorophenyl)methyl]amino}acetate
• CAS No.: 6436-92-6
• Molecular Formula: C₁₁H₁₄ClNO₂
• Molecular Weight: 227.691
• DSSTox Substance ID: DTXSID101254217
• Mol file: 6436-92-6.mol

Synonyms:ethyl 2-{[(4-chlorophenyl)methyl]amino}acetate;6436-92-6;ChemDiv2_003072;ethyl 2-[(4-chlorophenyl)methylamino]acetate;SCHEMBL8003720;LDTGTJKHPGIRGV-UHFFFAOYSA-N;DTXSID101254217;HMS1377L14;ethyl [(4-chlorobenzyl)amino]acetate;AKOS002125713;BB 0304310;EU-0029882;FT-0747031;EN300-43959;(4-chloro-benzylamino)-acetic acid ethyl ester;ethyl2-{[(4-chlorophenyl)methyl]amino}acetate;N-[(4-chlorophenyl)methyl]-glycine ethyl ester;N-[(4-Chlorophenyl)methyl]glycine ethyl ester;Z266076664

Chemical Property of Ethyl 2-{[(4-chlorophenyl)methyl]amino}acetate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 227.0713064
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

95% ^*data from raw suppliers

ETHYL 2-([(4-CHLOROPHENYL)METHYL]AMINO)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CNCC1=CC=C(C=C1)Cl

Technology Process of Ethyl 2-{[(4-chlorophenyl)methyl]amino}acetate

There total 5 articles about Ethyl 2-{[(4-chlorophenyl)methyl]amino}acetate 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: 90.0%

ethyl bromoacetate (105-36-2) + 4-chlorobenzylamine (104-86-9) → (4-chlorobenzylamino)acetic acid ethyl ester (6436-92-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 48.0833h; Inert atmosphere;

DOI:10.1055/s-0039-1690007

Reference yield: 77.0%

diazoacetic acid ethyl ester (623-73-4) + 4-chlorobenzylamine (104-86-9) → (4-chlorobenzylamino)acetic acid ethyl ester (6436-92-6)

Guidance literature:

With sodium dithionite; myoglobin (H₆₄G,V₆₈A); In aq. phosphate buffer; ethanol; at 20 ℃; pH=8.0; chemoselective reaction; Inert atmosphere; Enzymatic reaction;

DOI:10.1055/s-0039-1690007

Reference yield: 38.0%

methanol (67-56-1) + 1-Chloro-4-(chloromethyl)benzene (104-83-6) + GlyOEt*HCl (459-73-4) → (4-chlorobenzylamino)acetic acid methyl ester + (4-chlorobenzylamino)acetic acid ethyl ester (6436-92-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; for 14h; Reflux;

DOI:10.3762/bjoc.5.28

upstream raw materials:

ethyl bromoacetate

4-chlorobenzylamine

di-isopropyl ether

glycine ethyl ester hydrochloride

Downstream raw materials:

[(4-Chloro-benzyl)-formyl-amino]-acetic acid ethyl ester

N-(tert-butoxycarbonyl)-N-(4-chlorobenzyl)glycine ethyl ester

C₂₅H₂₆ClN₃O₅

[[1-(2-benzo[d]isoxazol-3-yl-acetyl)-2-methylazetidine-2-carbonyl](4-chlorobenzyl)amino]acetic acid

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