N-BOC-(methylamino)acetaldehyde

Base Information

• Chemical Name: N-BOC-(methylamino)acetaldehyde
• CAS No.: 123387-72-4
• Molecular Formula: C8H15 N O3
• Molecular Weight: 173.212
• Hs Code.: 2924199090
• European Community (EC) Number: 681-212-6
• DSSTox Substance ID: DTXSID00443953
• Nikkaji Number: J2.239.063E
• Wikidata: Q72449904
• Mol file: 123387-72-4.mol

Synonyms:N-BOC-(methylamino)acetaldehyde;123387-72-4;TERT-BUTYL METHYL(2-OXOETHYL)CARBAMATE;Tert-butyl N-methyl-N-(2-oxoethyl)carbamate;MFCD08064267;Carbamic acid, methyl(2-oxoethyl)-, 1,1-dimethylethyl ester;N-t-butoxycarbonylsarcosinal;N-Boc-2-(methylamino)acetaldehyde;N-(tert-butoxycarbonyl)-N-methylaminoacetaldehyde;SCHEMBL499275;methyl-(2-oxo-ethyl)-carbamic acid tert-butyl ester;DTXSID00443953;MSWTVSDFEYSRMQ-UHFFFAOYSA-N;CS-B0863;N-Boc-N-methyl-2-amino-acetaldehyde;Tert-butylmethyl(2-oxoethyl)Carbamate;AKOS006221826;N-tert-butoxycarbonyl-N-methylglycinal;tert-butyl formylmethyl-methylcarbamate;tert-butyl-methyl(2-oxoethyl)carbamate;SB32080;tert- butyl methyl(2-oxoethyl)carbamate;tert-butylmethyl-(2-oxoethyl)-carbamate;DS-13537;Methyl tert-butoxycarbonylaminoacetaldehyde;SY029083;AM20112002;B5825;FT-0645238;1,1-dimethylethyl methyl(2-oxoethyl)carbamate;(tert-butoxycarbonyl-methyl-amino)-acetaldehyde;EN300-266033;N-tert-Butoxycarbonyl-(methylamino)acetaldehyde;A853662;methyl-(2-oxo-ethyl)-carbamic acid t-butyl ester;J-004932;methyl-(2-oxo-ethyl)carbamic acid tert-butyl ester;2-(N-tert-butoxy carbonyl-N-methylamino)acetaldehyde;methyl(2-oxoethyl)carbamic acid, 1,1-dimethylethyl ester;methyl(2-oxoethyl)-carbamic acid, 1,1-dimethylethyl ester;Carbamic acid, N-methyl-N-(2-oxoethyl)-, 1,1-dimethylethyl ester;tert-butyl formylmethylmethylcarbamate

Chemical Property of N-BOC-(methylamino)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.127mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 218.2°Cat760mmHg
• PKA: -1.63±0.70(Predicted)
• Flash Point: 85.8°C
• PSA: 46.61000
• Density: 1.026g/cm³
• LogP: 1.05220
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly miscible with water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

N-Boc-(Methylamino)acetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C)CC=O
• Uses: N-Boc-(methylamino)acetaldehyde is involved in the preparation of benzo[d]imidazole inhibitor of co-activator associated arginine methyltransferase.

Technology Process of N-BOC-(methylamino)acetaldehyde

There total 1 articles about N-BOC-(methylamino)acetaldehyde 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:

methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate (42492-57-9) → O-tert-butyl N-methyl-N-(2-oxoethyl)carbamate (123387-72-4)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. LiOH / methanol

2: diisopropylethylamine / CH₂Cl₂ / 1 h / 20 °C

3: LAH / tetrahydrofuran / 1 h / 0 °C

With lithium hydroxide; lithium aluminium tetrahydride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/np020375t

Reference yield: 99.0%

1-(4-hydroxyphenyl)piperazine (56621-48-8) + O-tert-butyl N-methyl-N-(2-oxoethyl)carbamate (123387-72-4) → tert-butyl {2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl}methylcarbamate

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃; for 22h;

Reference yield: 99.0%

1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine + O-tert-butyl N-methyl-N-(2-oxoethyl)carbamate (123387-72-4) → tert-butyl (2-{4-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl}ethyl)methylcarbamate

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃; for 16h;

upstream raw materials:

methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

Downstream raw materials:

(S)-2-((S)-1-Benzyloxycarbonylmethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-6-[2-(tert-butoxycarbonyl-methyl-amino)-ethylamino]-hexanoic acid benzyl ester

1,1-dimethylethyl {2-{{(1S)-1-[(diphenylphosphino)methyl]-2-methylpropyl}amino}ethyl}methylcarbamate

N'-tert-butoxycarbonyl-N'-methyl-N-(3-methylbenzyl)ethylenediamine

tert-butyl 2-(4-(2-(2-methoxyphenyl)-1H-indol-5-yl)-5,6-dihydropyridin-1(2H)-yl)ethyl(methyl)carbamate

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