Fmoc-beta-alaninol

Base Information

• Chemical Name: Fmoc-beta-alaninol
• CAS No.: 157887-82-6
• Molecular Formula: C18H19 N O3
• Molecular Weight: 297.354
• Hs Code.: 2921490090
• European Community (EC) Number: 890-044-4
• DSSTox Substance ID: DTXSID50371398
• Nikkaji Number: J957.087J
• Wikidata: Q82158718
• Mol file: 157887-82-6.mol

Synonyms:Fmoc-beta-alaninol;157887-82-6;3-(Fmoc-amino)-1-propanol;Fmoc-|A-Ala-ol;(9H-Fluoren-9-yl)methyl (3-hydroxypropyl)carbamate;9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate;N-(9-Fluorenylmethoxycarbonyl)-3-aminopropan-1-ol;MFCD00409484;Carbamic acid, hydroxypropyl-, 9H-fluoren-9-ylmethyl ester;Carbamic acid, N-(3-hydroxypropyl)-, 9H-fluoren-9-ylmethyl ester;(9H-FLUOREN-9-YL)METHYL N-(3-HYDROXYPROPYL)CARBAMATE;Fmoc-beta-Ala-ol;Fmoc-3-amino-1-propanol;SCHEMBL230688;DTXSID50371398;GNXZNUJDAMSJFZ-UHFFFAOYSA-N;AKOS009157807;CS-W002610;DS-1582;SY022085;3-(Fmoc-amino)-1-propanol, >=98.0%;AM20030064;F1036;FT-0621665;EN300-7226887;9H-Fluoren-9-ylmethyl (3-hydroxypropyl)carbamate;J-009459;3-(9H-Fluorene-9-ylmethoxycarbonylamino)-1-propanol;3-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-1-propanol

Chemical Property of Fmoc-beta-alaninol

Chemical Property:

• Vapor Pressure: 1.36E-11mmHg at 25°C
• Melting Point: 124-126
• Boiling Point: 518.9°C at 760 mmHg
• PKA: 11.94±0.46(Predicted)
• Flash Point: 267.6°C
• PSA: 58.56000
• Density: 1.212g/cm³
• LogP: 3.29840
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 297.13649347
• Heavy Atom Count: 22
• Complexity: 351

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-β-alaninol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCO
• Uses: 12989 REPLACED BY 12560 Fmoc-beta-alaninol

Technology Process of Fmoc-beta-alaninol

There total 3 articles about Fmoc-beta-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%

9-fluorenylmethyl 3-nitro-1H-1,2,4-triazole-1-carboxylate (1001067-08-8) + propan-1-ol-3-amine (156-87-6) → 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate (157887-82-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1021/ol7024108

Reference yield: 99.0%

(fluorenylmethoxy)carbonyl chloride (28920-43-6) + propan-1-ol-3-amine (156-87-6) → 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate (157887-82-6)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.bmc.2018.10.042

Reference yield: 97.0%

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) + propan-1-ol-3-amine (156-87-6) → 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate (157887-82-6)

Guidance literature:

In 1,4-dioxane; water; at 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2008.07.130

upstream raw materials:

(fluorenylmethoxy)carbonyl chloride

propan-1-ol-3-amine

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

9-fluorenylmethyl 3-nitro-1H-1,2,4-triazole-1-carboxylate

Downstream raw materials:

[3-((2S,3S,4R,5R,6R)-6-Azidomethyl-4,5-bis-benzyloxy-3-hydroxy-tetrahydro-pyran-2-yloxy)-propyl]-carbamic acid 9H-fluoren-9-ylmethyl ester

Acetic acid (2S,3S,4S,5R,6R)-6-azidomethyl-4,5-bis-benzyloxy-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-propoxy]-tetrahydro-pyran-3-yl ester

C₅₄H₅₃N₃O₁₁