Product Name

  • Name

    Sarcosine methyl ester hydrochloride

  • EINECS 236-853-2
  • CAS No. 13515-93-0
  • Article Data19
  • CAS DataBase
  • Density 0.964g/cm3
  • Solubility Soluble in water.
  • Melting Point 150 °C(lit.)
  • Formula C4H9NO2.HCl
  • Boiling Point 118.9 °C at 760mmHg
  • Molecular Weight 139.582
  • Flash Point 25.7 °C
  • Transport Information
  • Appearance White to beige crystals or crystalline powder
  • Safety 26-39-36
  • Risk Codes 22-37/38-41-36/37/38
  • Molecular Structure Molecular Structure of 13515-93-0 (Sarcosine methyl ester hydrochloride)
  • Hazard Symbols HarmfulXn,OxidizingO,IrritantXi
  • Synonyms Glycine,N-methyl-, methyl ester, hydrochloride (9CI);Sarcosine, methyl ester,hydrochloride (7CI,8CI);(Methylamino)acetic acid methyl ester hydrochloride;Methyl 2-(methylamino)acetate hydrochloride;Methyl N-methylglycinatehydrochloride;Methyl sarcosinate hydrochloride;Methyl sarcosinehydrochloride;N-Methylglycine methyl ester hydrochloride;
  • PSA 38.33000
  • LogP 0.57170

Synthetic route

methanol
67-56-1

methanol

sarcosine
107-97-1

sarcosine

N-methylglycine methyl ester hydrochloride
13515-93-0

N-methylglycine methyl ester hydrochloride

Conditions
ConditionsYield
With thionyl chloride for 6.5h; Cooling; Reflux; Inert atmosphere;100%
With thionyl chloride at 55℃; for 2h;92%
With thionyl chloride 1.) ice-salt bath, 20 min, 2.) room temperature, 2 h, 3.) reflux, 2 h;90%
methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
42492-57-9

methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

N-methylglycine methyl ester hydrochloride
13515-93-0

N-methylglycine methyl ester hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; dichloromethane at 0 - 20℃; for 1h;100%
With hydrogenchloride In 1,4-dioxane; methanol at 20 - 25℃;
methanol
67-56-1

methanol

sarcosine

sarcosine

N-methylglycine methyl ester hydrochloride
13515-93-0

N-methylglycine methyl ester hydrochloride

Conditions
ConditionsYield
With thionyl chloride at 0℃; for 3.5h; Reflux;92%
methanol
67-56-1

methanol

Methylamino-acetyl chloride
238090-53-4

Methylamino-acetyl chloride

N-methylglycine methyl ester hydrochloride
13515-93-0

N-methylglycine methyl ester hydrochloride

sarcosine
107-97-1

sarcosine

methyl iodide
74-88-4

methyl iodide

N-methylglycine methyl ester hydrochloride
13515-93-0

N-methylglycine methyl ester hydrochloride

Conditions
ConditionsYield
Stage #1: sarcosine With thionyl chloride
Stage #2: methyl iodide
sarcosine
107-97-1

sarcosine

N-methylglycine methyl ester hydrochloride
13515-93-0

N-methylglycine methyl ester hydrochloride

Conditions
ConditionsYield
With thionyl chloride In methanol

Sarcosine methyl ester hydrochloride Consensus Reports

Sarcosine methyl ester hydrochloride (CAS 13515-93-0) Market Research Report 2009

Sarcosine methyl ester hydrochloride Specification

The IUPAC name of Sarcosine methyl ester hydrochloride is methyl 2-(methylamino)acetate hydrochloride. With the CAS registry number 13515-93-0, it is also named as Glycine, N-methyl-, methyl ester, hydrochloride. The product's categories are amino acids; sarcosine [sar]; unusual amino acids; amino hydrochloride; amino acid derivatives; glycine; peptide synthesis. It is white to beige crystals or crystalline powder which is hygroscopic and stable under normal temperature and pressure. Additionally, this chemical must be sealed in the container and placed in the cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 7.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 25.7 °C; (13)Enthalpy of Vaporization: 35.71 kJ/mol; (14)Boiling Point: 118.9 °C at 760 mmHg; (15)Vapour Pressure: 16.3 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Exact Mass: 139.040006; (18)MonoIsotopic Mass: 139.040006; (19)Topological Polar Surface Area: 38.3; (20)Heavy Atom Count: 8; (21)Complexity: 62.7.

Preparation of Sarcosine methyl ester hydrochloride: It can be obtained by methanol and N-methyl-glycine. This reaction needs reagent thionyl chloride at ambient temperature. 

Uses of Sarcosine methyl ester hydrochloride: It can react with formic acid to get N-formyl-N-methyl-glycine methyl ester. This reaction needs reagent HCO2Na at ambient temperature. The reaction time is 2 hours. The yield is 85%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(OC)CNC
2. InChI:InChI=1/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H 
3. InChIKey:HQZMRJBVCVYVQA-UHFFFAOYAF

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