CID 10888117

Base Information

• Chemical Name: CID 10888117
• CAS No.: 52605-49-9
• Molecular Formula: C5H11NO2^.HCl
• Molecular Weight: 153.609
• Hs Code.: 29299090
• Mol file: 52605-49-9.mol

Synonyms:BP-31201

Chemical Property of CID 10888117

Chemical Property:

• Appearance/Colour: white to off-white crystalline solid
• Vapor Pressure: 6.67mmHg at 25°C
• Melting Point: 125 °C
• Boiling Point: 138.6 °C at 760 mmHg
• Flash Point: 37.6 °C
• PSA: 38.33000
• LogP: 0.96180
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.1 g/mL, clear
• Water Solubility.: Soluble in water 0.1 g/mL.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 153.0556563
• Heavy Atom Count: 9
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

Sarcosine ethyl ester hydrochloride 98+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C[NH2+]C.[Cl-]
• Uses: Sarcosine ethyl ester hydrochloride is a metabolite of Sarcosine (S140500), which as been found in starfish and sea urchins. It is used as intermediate in the synthesis of antienzyme agents for toothpaste. Found to be a marker for prostate cancer bioagression.

Technology Process of CID 10888117

There total 3 articles about CID 10888117 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%

sarcosine (107-97-1,25951-24-0) + ethanol (64-17-5) → sarcosine ethyl ester hydrochloride (52605-49-9)

Guidance literature:

With thionyl chloride; at 0 - 78 ℃;

DOI:10.3762/bjoc.15.286

Reference yield: 97.0%

sarcosine (107-97-1,25951-24-0) → sarcosine ethyl ester hydrochloride (52605-49-9)

Guidance literature:

With thionyl chloride; In ethanol; at -10 - 55 ℃;

DOI:10.1016/j.ejmech.2018.08.060

Reference yield:

→ sarcosine ethyl ester hydrochloride (52605-49-9)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 16h;

upstream raw materials:

sarcosine

ethanol

Downstream raw materials:

1-methyl-2-thioxoimidazolidin-4-one

N-methyl-N--D,L-phenylalanyl>glycine ethyl ester

{[4-(4-Fluoro-benzoyl)-pyridine-3-carbonyl]-methyl-amino}-acetic acid ethyl ester

{[3-(4-Fluoro-benzoyl)-pyridine-4-carbonyl]-methyl-amino}-acetic acid ethyl ester

Refernces

• 1、 Siebert, David C.B.,Sommer, Roman,Pogorevc, Domen,Hoffmann, Michael,Wenzel, Silke C.,Müller, Rolf,Titz, Alexander. "Chemical synthesis of tripeptide thioesters for the biotechnological incorporation into the myxobacterial secondary metabolite argyrin via mutasynthesis". supporting information. p. 2922 - 2929. Retrieved 2019/12/23.
• 2、 -. "INHIBITORS OF HEPATITIS C VIRUS POLYMERASE". Paragraph 409; 410; 411. . Retrieved 2016/10/11.