tert-Butyl (4-hydroxybutyl)(methyl)carbamate

Base Information

• Chemical Name: tert-Butyl (4-hydroxybutyl)(methyl)carbamate
• CAS No.: 99207-32-6
• Molecular Formula: C10H21NO3
• Molecular Weight: 203.282
• Hs Code.: 2924199090
• European Community (EC) Number: 809-640-2
• DSSTox Substance ID: DTXSID00564738
• Nikkaji Number: J2.338.611I
• Wikidata: Q82449553
• Mol file: 99207-32-6.mol

Synonyms:99207-32-6;tert-Butyl (4-hydroxybutyl)(methyl)carbamate;(4-Hydroxy-butyl)-methyl-carbamic acid tert-butyl ester;TERT-BUTYL 4-HYDROXYBUTYLMETHYLCARBAMATE;TERT-BUTYL N-(4-HYDROXYBUTYL)-N-METHYLCARBAMATE;tert-butyl (4-hydroxybutyl)methylcarbamate;N-Boc-4-(methylamino)butan-1-ol;MFCD09953073;4-[Boc(methyl)amino]-1-butanol;n-boc-n-methyl-4-aminobutanol;SCHEMBL2478206;DTXSID00564738;BYPKFIHBBILFGE-UHFFFAOYSA-N;AB3414;AKOS024262376;DS-9329;SB40368;SY211969;tert-Butyl(4-hydroxybutyl)(methyl)carbamate;CS-0043109;EN300-384673;(1,1-dimethylethyl) (4-hydroxybutyl)methylcarbamate;(4-Hydroxy-butyl)-methyl-carbamic acid tert-butyl ester, AldrichCPR;Carbamic acid, (4-hydroxybutyl)methyl-, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl (4-hydroxybutyl)(methyl)carbamate

Chemical Property:

• PSA: 49.77000
• LogP: 1.62580
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 203.15214353
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

≥99.0% ^*data from raw suppliers

tert-Butyl4-Hydroxybutylmethylcarbamate ^*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)CCCCO

Technology Process of tert-Butyl (4-hydroxybutyl)(methyl)carbamate

There total 13 articles about tert-Butyl (4-hydroxybutyl)(methyl)carbamate 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%

tert-butyl (4-((tert-butyldimethylsilyl)oxy)butyl)(methyl)carbamate → 4-(N-tert-Butyloxycarbonyl-N-methylamino)butanol (99207-32-6)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 1.5h;

Reference yield: 91.4%

4-(N-methylamino)butan-1-ol (42042-68-2) + di-tert-butyl dicarbonate (24424-99-5) → 4-(N-tert-Butyloxycarbonyl-N-methylamino)butanol (99207-32-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 3h;

Reference yield: 84.0%

4-(N-methylamino)butan-1-ol (42042-68-2) + 2-(tert-butoxycarbonyloxyimino)-2-phenylacetonitrile (74651-77-7) → 4-(N-tert-Butyloxycarbonyl-N-methylamino)butanol (99207-32-6)

Guidance literature:

With triethylamine; In 1,4-dioxane; ethyl acetate;

upstream raw materials:

4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid

4-(N-methylamino)butan-1-ol

di-tert-butyl dicarbonate

N-(tert-butoxycarbonyl)-4-aminobutanoic acid

Downstream raw materials:

tert-butyl methyl-(4-oxo-butyl)-carbamate

di-tert-butyl(((1,4-phenylenebis(methylene))bis(azanediyl))bis(butane-4,1-diyl))bis((4-((tert-butoxycarbonyl)(methyl)amino)butyl)carbamate),

(4-Methoxy-butyl)-methyl-amine

Refernces

• 1、 -. "METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS". Paragraph 00460. . Retrieved 2022/01/04.
• 2、 Bélanger, Guillaume,Gallagher-Duval, Shawn,Lapointe, Vincent. "Functionalized Polyhydroquinolines from Amino Acids Using a Key One-Pot Cyclization Cascade and Application to the Synthesis of (±)-Δ7-Mesembrenone". supporting information. p. 8606 - 8611. Retrieved 2021/11/17.