N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine

Base Information

• Chemical Name: N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine
• CAS No.: 54696-41-2
• Molecular Formula: C14H15 N O5
• Molecular Weight: 277.277
• Hs Code.: 2932209090
• European Community (EC) Number: 259-297-2
• DSSTox Substance ID: DTXSID30203148
• Nikkaji Number: J236.205H
• ChEMBL ID: CHEMBL259915
• Mol file: 54696-41-2.mol

Synonyms:54696-41-2;N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine;EINECS 259-297-2;2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-methylamino]acetic acid;N-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)-N-methylglycine;methylcalcein blue;Glycine,N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]-N-methyl-;N-[(7-HYDROXY-4-METHYL-2-OXO-2H-1-BENZOPYRAN-8-YL)METHYL]SARCOSINE;CHEMBL259915;DTXSID30203148;MGGUJKYUDQUTSV-UHFFFAOYSA-N;AKOS024307455;[[(7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl](methyl)amino]acetic acid;[[(7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl](methyl)amino]acetic acid #;2-{[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl](methyl)amino}acetic acid

Chemical Property of N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine

Chemical Property:

• Vapor Pressure: 1.49E-11mmHg at 25°C
• Melting Point: 180 °C (dec.)(lit.)
• Boiling Point: 517.9°C at 760 mmHg
• Flash Point: 267°C
• PSA: 90.98000
• Density: 1.377g/cm³
• LogP: 1.32340
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 277.09502258
• Heavy Atom Count: 20
• Complexity: 433

Purity/Quality:

99% ^*data from raw suppliers

METHYL CALCEIN BLUE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(C)CC(=O)O)O

Technology Process of N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine

There total 1 articles about N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine 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: 58.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + sarcosine (107-97-1,25951-24-0) → 4-methyl-8-(carboxymethyl-N-methyl)aminomethyl umbelliferrone (54696-41-2)

Guidance literature:

In ethanol; Heating;

DOI:10.1016/j.bmc.2007.11.045

Reference yield:

copper(II) choride dihydrate + 4-methyl-8-(carboxymethyl-N-methyl)aminomethyl umbelliferrone (54696-41-2) → [Cu(Methyl Calcein Blue)](2+)

Guidance literature:

With sodium hydroxide; In sodium hydroxide; addn. of aq. soln. of copper compd. to aq. soln. of Methyl Calcein Blue,adjusting pH to 8.4 by aq. NaOH; MS monitoring;

DOI:10.1039/b912400d

Reference yield:

nickel(II) chloride hexahydrate + 4-methyl-8-(carboxymethyl-N-methyl)aminomethyl umbelliferrone (54696-41-2) → [Ni(Methyl Calcein Blue)](2+) + [Ni(Methyl Calcein Blue)2](2+)

Guidance literature:

With C₆H₁₁NHCH₂CH₂SO₃H; In water; addn. of aq. soln. of nickel compd. to soln. of Methyl Calcein Blue in aq. CHES buffer at pH 8.4 at 298 K; UV monitoring;

DOI:10.1039/b912400d

upstream raw materials:

formaldehyd

7-hydroxy-4-methyl-chromen-2-one

sarcosine

Refernces