Boc-L-alaninol

Base Information

• Chemical Name: Boc-L-alaninol
• CAS No.: 79069-13-9
• Molecular Formula: C8H17NO3
• Molecular Weight: 175.228
• Hs Code.: 29051990
• European Community (EC) Number: 807-439-4
• UNII: 57BU9FA6VG
• DSSTox Substance ID: DTXSID40427479
• Nikkaji Number: J1.170.613D
• Wikidata: Q72447759
• Mol file: 79069-13-9.mol

Synonyms:Boc-L-alaninol;79069-13-9;N-Boc-L-alaninol;Boc-Alaninol;N-tert-Butoxycarbonyl-L-alaninol;(S)-2-(Boc-amino)-1-propanol;(S)-tert-Butyl (1-hydroxypropan-2-yl)carbamate;N-(tert-Butoxycarbonyl)-L-alaninol;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;(S)-N-BOC-alaninol;(S)-2-(tert-Butoxycarbonylamino)-1-propanol;(S)-tert-butyl 1-hydroxypropan-2-ylcarbamate;(S)-(-)-2-(tert-Butoxycarbonylamino)-1-propanol;tert-butyl (S)-(1-hydroxypropan-2-yl)carbamate;Carbamic acid, [(1S)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester;MFCD00043121;tert-Butyl [(2S)-1-hydroxypropan-2-yl]carbamate;Carbamic acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (s)-;tert-butyl ((2S)-1-hydroxypropan-2-yl)carbamate;Boc-Ala-ol;boc-(s)-alaninol;57BU9FA6VG;SCHEMBL57872;n-t-butoxycarbonyl-l-alaninol;tert-butyl N-[(1S)-2-hydroxy-1-methyl-ethyl]carbamate;DTXSID40427479;N-Boc-L-alaninol, Boc-L-alaninol;FD1019;AKOS015838059;N-(tert.-butyloxycarbonyl)-L-alaninol;CS-W007729;HY-W007729;(S)-2-t-butoxycarbonylamino-1-propanol;AC-23791;AS-14668;BP-12774;AM20100787;B1953;(5)-tert-butyl 1-hydroxypropan-2-ylcarbamate;(S)-2-(tert-butoxycarbonyl)amino-1-propanol;(S)-tert-butyl-1-hydroxypropan-2-ylcarbamate;tert-Butyl 2-hydroxy-1-methylethylcarbamate #;(S)-tert-butyl 1 -hydroxypropan-2-ylcarbamate;B-4620;EN300-156990;t-Butyl (1S)-2-hydroxy-1-methylethylcarbamate;(S)-2-(N-tert-butoxycarbonylamino)-1-propanol;t-butyl (S)-(2-hydroxy-1-methylethyl)carbamate;tert-butyl[(2S)-1-hydroxypropan-2-yl]carbamate;(S)-tert-butyl (1-hydroxypropan-2-yl)-carbamate;A839569;(S)-(?)-2-(tert-Butoxycarbonylamino)-1-propanol;J-502278;tert-butyl [(1S)-2-hydroxy-1-methylethyl]carbamate;tert-Butyl[(1S)-2-hydroxy-1-methylethyl]carbamate;(S)-2-[N-(2-methyl-2-propyloxycarbonyl) amino]propanol;((s)-2-hydroxy-1-methyl-ethyl)-carbamic acid tert-butyl ester;((S)-2-hydroxy-1-methylethyl)carbamic acid tert-butyl ester;(1S)-2-hydroxy-1-methyl-ethyl-carbamic acid tert-butyl ester;(S)-(2-Hydroxy-1-methyl-ethyl)-carbamic acid tert-butyl ester;1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate;(S)-2-(Boc-amino)-1-propanol, 98%, optical purity ee: 98% (GLC);Carbamic acid, N-[(1S)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester

Chemical Property of Boc-L-alaninol

Chemical Property:

• Vapor Pressure: 0.000597mmHg at 25°C
• Melting Point: 58-61 °C
• Refractive Index: -8.6 ° (C=1.2, MeOH)
• Boiling Point: 276.4 °C at 760 mmHg
• PKA: 12.11±0.46(Predicted)
• Flash Point: 121 °C
• PSA: 58.56000
• Density: 1.025 g/cm³
• LogP: 1.28280
• Storage Temp.: 2-8°C
• Solubility.: almost transparency in Methanol
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 175.12084340
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Boc-L-alaninol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CO)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](CO)NC(=O)OC(C)(C)C

Technology Process of Boc-L-alaninol

There total 42 articles about Boc-L-alaninol 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%

(S)-Alaninol (2749-11-3) + di-tert-butyl dicarbonate (24424-99-5) → (S)-2-t-butoxycarbonylaminopropan-1-ol (79069-13-9)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2007.02.011

Reference yield: 100.0%

(S)-N-(tert-butoxycarbonyl)alanine methyl ester (28875-17-4) → (S)-2-t-butoxycarbonylaminopropan-1-ol (79069-13-9)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 65 ℃; for 1h;

DOI:10.1039/c6ra14016e

Reference yield: 100.0%

(R)-2-aminopropan-1-ol (35320-23-1) + di-tert-butyl dicarbonate (24424-99-5) → (R)-2-tertbutoxycarbonylamino-1-propanol (79069-13-9,127516-56-7,147252-84-4,106391-86-0)

Guidance literature:

With triethylamine; In methanol; at 0 - 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2021.113785

upstream raw materials:

(R)-2-aminopropan-1-ol

di-tert-butyl dicarbonate

N-(tert-butoxycarbonyl)-D-alanine methyl ester

1-benzyloxy-2(S)-t-butoxycarbonylamino-3-ethylthiopropane

Downstream raw materials:

[(2-tert-butoxycarbonylamino-propyl)-(2-nitro-benzenesulfonyl)-amino]-acetic acid methyl ester

[(1R)-2-methoxy-1-methylethyl]carbamic acid tert-butyl ester

tert-butyl {(1R)-2-[(4-methoxyphenyl)amino]-1-methylethyl}carbamate

NNC 21-0136

Refernces

• 1、 Mruk, Ralf,Zentel, Rudolf. "Chiral polyisocyanates from an azomonomer with a very high chiral induction". . p. 185 - 192. Retrieved 2002.
• 2、 Das, Kalyan,De Jonghe, Steven,Gu, Weijie,Herdewijn, Piet,Martinez, Sergio,Nguyen, Hoai,Rozenski, Jef,Schols, Dominique,Singh, Abhimanyu K.. "Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design". . . Retrieved 2021/08/24.
• 3、 Pise, Ashok S.,Ingale, Ajit P.,Dalvi, Navnath R.. "Ultrasound promoted environmentally benign, highly efficient, and chemoselective N-tert-butyloxycarbonylation of amines by reusable sulfated polyborate". supporting information. p. 3768 - 3780. Retrieved 2021/10/26.