Di-o-tolylguanidine Chemical Properties

Melting point:

176-178 °C(lit.)

Boiling point:

371.98°C (rough estimate)

Density 

1.1000

vapor pressure 

0Pa at 25℃

refractive index 

1.4560 (estimate)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

water: soluble70mg/mL at 20°C

pka

10.32±0.10(Predicted)

form 

solid

color 

White

Water Solubility 

70mg/L at 20℃

Stability:

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.

LogP

2.9 at 25℃

CAS DataBase Reference

97-39-2(CAS DataBase Reference)

NIST Chemistry Reference

Guanidine, 1,3-di-o-tolyl-(97-39-2)

EPA Substance Registry System

1,3-Di-o-tolylguanidine (97-39-2)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

Safety Statements 

26-36

RIDADR 

UN 2811

WGK Germany 

3

RTECS 

MF1400000

TSCA 

Yes

HazardClass 

6.1(b)

PackingGroup 

III

HS Code 

29252900

Hazardous Substances Data

97-39-2(Hazardous Substances Data)

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Di-o-tolylguanidine Usage And Synthesis

Description

DTG (97-39-2) is an agonist of the sigma (σ) receptor1?with roughly equal potency against both subtypes (σ1 and σ2 IC50’s ~ 30nM)2.

Uses

DTG is a selective ligand for the sigma-binding site. DTG has high binding affinity.

Definition

ChEBI: 1,2-bis(2-methylphenyl)guanidine is a member of toluenes.

General Description

1,3-Di-o-tolylguanidine is a selective σ-receptor agonist. 1,3-Di-o-tolylguanidine is σ site ligand and its interaction with dopamine drugs were studied in Wistar rats and Albino Swiss mice.

Flammability and Explosibility

Non flammable

Biological Activity

Displays high and roughly equal affinity for both σ 1 and σ 2 receptors.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Purification Methods

The guanidine crystallises from aqueous EtOH. The sulfate has m 253-254o(dec, H2O). [Beilstein 12 H 803, 12 II 445, 12 III 1871, 16 IV 1764]

References

1) Weber?et al.?(1986),?1,3-Di(2-[5-3H]tolyl)guanidine: a selective ligand that labels sigma-type receptors for psychotomimetic opiates and antipsychotic drugs; Proc. Natl. Acad. Sci. USA,?83?8784 2) Scherz?et al.?(1990),?Synthesis and Structure-Activity Relationships of N,N’-Di-o-tolylguanidine Analogues, High-Affinity Ligands for the Haloperidol-Sensitive σ Receptor; J. Med. Chem.,?33?2421

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