3-(Boc-amino)-3-methyl-1-butanol

Base Information

• Chemical Name: 3-(Boc-amino)-3-methyl-1-butanol
• CAS No.: 167216-22-0
• Molecular Formula: C10H21 N O3
• Molecular Weight: 203.282
• DSSTox Substance ID: DTXSID50573097
• Nikkaji Number: J3.114.392F
• Wikidata: Q82461685
• Mol file: 167216-22-0.mol

Synonyms:3-(Boc-amino)-3-methyl-1-butanol;167216-22-0;TERT-BUTYL N-(4-HYDROXY-2-METHYLBUTAN-2-YL)CARBAMATE;tert-butyl (4-hydroxy-2-methylbutan-2-yl)carbamate;Carbamic acid, (3-hydroxy-1,1-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI);MFCD19982636;SCHEMBL1359163;DTXSID50573097;QHSUFODBDZQCHO-UHFFFAOYSA-N;N-Boc-3-amino-3-methylbutan-1-ol;AC2581;AKOS027399905;SB77938;3-(N-BOC-amino)-3-methyl-butan-1-ol;CS-12233;SY040943;CS-0162844;EN300-200825;3-(tert-butoxycarbonylamino)-3-methyl-1-butanol;A810830;3-hydroxy-1,1-dimethylpropylcarbamic acid tert-butyl ester;3-hydroxy-1,1dimethylpropylcarbamic acid tert-butyl ester;3hydroxy-1,1-dimethylpropylcarbamic acid tert-butyl ester;(3-Hydroxy-1,1-dimethyl-propyl)-carbamic acid tert-butyl ester;(3-Hydroxy-1,I-dimethyl-propyl)-carbamic acid tert-butyl ester;Carbamic acid,(3-hydroxy-1,1-dimethylpropyl)-,1,1-dimethylethyl ester(9ci)

Chemical Property of 3-(Boc-amino)-3-methyl-1-butanol

Chemical Property:

• PSA: 62.05000
• LogP: 1.87650
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 203.15214353
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

97% ^*data from raw suppliers

3-(Boc-amino)-3-methyl-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(C)(C)CCO
• Uses: 3-(Boc-amino)-3-methyl-1-butanol is an intermediate used in the synthesis of (2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic Acid (B809765), which is used in the preparation of C-terminal sulfonamide analogs of NN703 as growth hormone secretagogues.

Technology Process of 3-(Boc-amino)-3-methyl-1-butanol

There total 13 articles about 3-(Boc-amino)-3-methyl-1-butanol 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: 100.0%

1-hydroxy-3-methylbut-3-ylamine (42514-50-1) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (3-hydroxy-1,1-dimethyl-propyl)-carbamate (167216-22-0)

Guidance literature:

In dichloromethane; at 25 ℃; for 18h;

Reference yield:

chloroformic acid ethyl ester (541-41-3) + 3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid (129765-95-3) → tert-butyl (3-hydroxy-1,1-dimethyl-propyl)-carbamate (167216-22-0)

Guidance literature:

With hydrogenchloride; lithium borohydride; triethylamine; In tetrahydrofuran; methanol;

Reference yield:

lithium borohydride + chloroformic acid ethyl ester (541-41-3) + 3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid (129765-95-3) → tert-butyl (3-hydroxy-1,1-dimethyl-propyl)-carbamate (167216-22-0)

Guidance literature:

With hydrogenchloride; triethylamine; In tetrahydrofuran; methanol;

upstream raw materials:

1-hydroxy-3-methylbut-3-ylamine

di-tert-butyl dicarbonate

2,4,4-trimethyl-5,6-dihydro-1,3(4H)-oxazine

3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid

Downstream raw materials:

(1,1-dimethyl-3-oxo-propyl)-carbamic acid tert-butyl ester

tabimorelin

[(E)-4-({(R)-2-Benzyloxy-1-[methyl-((R)-1-methylcarbamoyl-2-phenyl-ethyl)-carbamoyl]-ethyl}-methyl-carbamoyl)-1,1-dimethyl-but-3-enyl]-carbamic acid tert-butyl ester

[(E)-1,1-Dimethyl-4-(methyl-{(R)-1-[methyl-((R)-1-methylcarbamoyl-2-phenyl-ethyl)-carbamoyl]-2-naphthalen-1-yl-ethyl}-carbamoyl)-but-3-enyl]-carbamic acid tert-butyl ester