7a-Methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole

Base Information

• Chemical Name: 7a-Methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole
• CAS No.: 13518-40-6
• Molecular Formula: C9H19NO2^.HCl
• Molecular Weight: 209.716
• Hs Code.: 29224999
• NSC Number: 157474
• DSSTox Substance ID: DTXSID00303240,DTXSID10928903
• Nikkaji Number: J307.525G
• Mol file: 13518-40-6.mol

Synonyms:13488-71-6;7a-methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole;7a-methyl-6-(phenoxymethyl)-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole;NSC157474;DTXSID00303240;DTXSID10928903;NSC-157474;7a-Methyl-2-(phenoxymethyl)tetrahydro-7aH-[1,3]oxazolo[2,3-b][1,3]oxazole

Chemical Property of 7a-Methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole

Chemical Property:

• Melting Point: 142.0 to 146.0 °C
• Boiling Point: 241.7 °C at 760 mmHg
• Flash Point: 100 °C
• PSA: 52.32000
• LogP: 2.81370
• Storage Temp.: Store at 0-5°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

L-Valine tert-butyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: CC12N(CCO1)CC(O2)COC3=CC=CC=C3
• Uses: L-Valine tert-butyl ester hydrochloride is a protected form of L-Valine (V094205). L-Valine is an essential amino acid that is used as an ingredient in cosmetic formulations, pharmaceuticals, and animal feed products. L-valine is also important for growth and ammonia detoxification in humans.

Technology Process of 7a-Methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole

There total 4 articles about 7a-Methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole 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: 52.0%

D-Val-OH (640-68-6,25609-85-2,7004-03-7,921-10-8) + isobutene (115-11-7,15220-85-6) → t-butyl D-valinate hydrochloride (13518-40-6,75898-43-0,104944-18-5)

Guidance literature:

With sulfuric acid; In 1,4-dioxane;

DOI:10.1016/S0040-4020(01)91366-3

Reference yield: 50.0%

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + isobutene (115-11-7,15220-85-6) → L-valine tert-butylester hydrochloride (13518-40-6)

Guidance literature:

With sulfuric acid; In 1,4-dioxane;

DOI:10.1016/S0040-4020(01)91366-3

Reference yield:

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + tert-butyl alcohol (75-65-0) → L-valine tert-butylester hydrochloride (13518-40-6)

Guidance literature:

With thionyl chloride; at 20 ℃; Cooling with ice; Inert atmosphere;

upstream raw materials:

L-valine

isobutene

tert-butyl alcohol

D-Val-OH

Downstream raw materials:

Z-L-Val-L-Val-OtBu

Z-S-Leu-S-Phe-S-Val-OtBu

Z-S-Leu-R-Phe-S-Val-OtBu

N-Benzyloxycarbonyl-L-alanyl-O-(2-acetamido-3,4,6-tri-O-acetyl-2-desoxy-α-D-galactopyranosyl)-L-threonyl-L-valin-tert-butylester

Refernces

• 1、 -. "Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use". Page/Page column 35. . Retrieved 2008/06/13.
• 2、 Thorsen, M.,Andersen, T. P.,Pedersen, U.,Yde, B.,Lawesson, S.-O.,Hansen. H. F.. "STUDIES ON AMINO ACIDS AND PEPTIDES X. HPLC-MEDIATED TEST OF 2,4-BIS(4-METHOXYPHENYL)-1,3,2,4-DITHIADIPHOSPHETANE 2,4-DISULFIDE (LAWESSONS'S REAGENT) AS A RACEMIZATIONFREE COUPLING REAGENT IN PEPTIDE SYNTHESIS". . p. 5633 - 5636. Retrieved 2007/10/02.