N-Boc-serinol

Base Information

• Chemical Name: N-Boc-serinol
• CAS No.: 125414-41-7
• Molecular Formula: C8H17 N O4
• Molecular Weight: 191.227
• Hs Code.: 2924199090
• European Community (EC) Number: 625-706-1
• DSSTox Substance ID: DTXSID20442706
• Nikkaji Number: J785.784E
• Wikidata: Q82260143
• Mol file: 125414-41-7.mol

Synonyms:N-Boc-serinol;125414-41-7;tert-Butyl (1,3-dihydroxypropan-2-yl)carbamate;t-Butyl 1,3-dihydroxypropan-2-ylcarbamate;Tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;MFCD00270213;tert-butyl 1,3-dihydroxypropan-2-ylcarbamate;Boc-serinol;boc-ser-ol;2-(Boc-amino)-1,3-propanediol;N-Boc-serinol, 97%;SCHEMBL2861782;DTXSID20442706;JHBKBRLRYPYBLP-UHFFFAOYSA-N;1,1-Dimethylethyl [2-hydroxy-1-(hydroxymethyl)ethyl]carbamate;AKOS013153806;CS-W019250;HY-W018464;BP-20962;DS-18493;SY020146;FT-0722339;2-(tert-Butoxycarbonylamino)propane-1,3-diol;EN300-84185;tert-Butyl(1,3-dihydroxypropan-2-yl)carbamate;A890213;J-005226;Z1250167637;Carbamic acid, N-[2-hydroxy-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester

Chemical Property of N-Boc-serinol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 85-89 °C
• Refractive Index: 1.476
• Boiling Point: 363.022°C at 760 mmHg
• PKA: 11.60±0.46(Predicted)
• Flash Point: 173.35°C
• PSA: 78.79000
• Density: 1.136g/cm³
• LogP: 0.25520
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 191.11575802
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(1,3-Dihydroxypropan-2-yl)carbamate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CO)CO
• Description: T-Butyl 1,3-dihydroxypropan-2-ylcarbamate is a branched PEG derivative with biotin and two hydroxyl moieties. The hydroxyl groups enable further derivatization or replacement with other reactive functional groups. The Boc group can be deprotected under mild acidic conditions to form the free amine.

Technology Process of N-Boc-serinol

There total 7 articles about N-Boc-serinol 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%

di-tert-butyl dicarbonate (24424-99-5) + serinol (534-03-2) → N-Boc-serinol (125414-41-7)

Guidance literature:

aminosulfonic acid; at 25 - 28 ℃; for 0.0833333h;

DOI:10.1016/j.tetlet.2007.09.126

Reference yield: 85.0%

4-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester → N-Boc-serinol (125414-41-7)

Guidance literature:

With bismuth(III) bromide; In acetonitrile; at 20 ℃; for 7h;

DOI:10.1021/jo050228a

Reference yield: 85.0%

(S)-N-(tert-butoxycarbonyl)serine (3262-72-4) → N-Boc-serinol (125414-41-7)

Guidance literature:

(S)-N-(tert-butoxycarbonyl)serine; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.5h;

With sodium tetrahydroborate; water; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1055/s-0030-1259988

upstream raw materials:

di-tert-butyl dicarbonate

serinol

tert-butyldicarbonate

(S)-N-(tert-butoxycarbonyl)serine

Downstream raw materials:

tert-butyl (1-formyl-vinyl)carbamate

methanesulfonic acid 2-tert-butoxycarbonylamino-3-methanesulfonyloxypropylester

1-benzyl-6-(tert-butoxycarbonylamino)-4-methylhexahydro-1H-1,4-diazepine

tert-butyl (1,3-bis(benzyloxy)propan-2-yl)carbamate