N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine

Base Information

Chemical Name:N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine
CAS No.:130031-50-4
Molecular Formula:C₂₇H₂₉Cl₂N₃S
Molecular Weight:498.519
Hs Code.:
DSSTox Substance ID:DTXSID60156315
Nikkaji Number:J351.882E
Wikidata:Q83024364
ChEMBL ID:CHEMBL1193599
Mol file:130031-50-4.mol

Synonyms:130031-50-4;N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine;N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylbutyl]acridin-9-amine;N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)acridin-9-amine;CHEMBL1193599;DTXSID60156315

Suppliers and Price of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine

Chemical Property:

Vapor Pressure:3.89E-19mmHg at 25°C
Boiling Point:694.5°Cat760mmHg
Flash Point:373.8°C
PSA：56.69000
Density:1.27g/cm³
LogP:7.07830
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:497.1459245
Heavy Atom Count:33
Complexity:518

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCSC4=CC=C(C=C4)N(CCCl)CCCl

Technology Process of N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine

There total 13 articles about N-(4-((4-(Bis(2-chloroethyl)amino)phenyl)thio)butyl)-9-acridinamine 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:

: 100132-31-8
4-benzenethiol

: 130031-50-4
Acridin-9-yl-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenylsulfanyl}-butyl)-amine

Guidance literature:: Multi-step reaction with 9 steps

1: 74 percent / K₂CO₃ / methanol / 0.17 h / Heating

2: Et₃N / CH₂Cl₂ / 0.75 h / 0 °C

3: NaCl / dimethylformamide / 0.08 h / 120 °C

4: 96 percent / concd. HCl / 1.5 h / Heating

5: EtOCOCl, Et₃N / acetone / 0.17 h / -5 °C

6: aq. NaN₃ / acetone / 0.5 h / 0 °C

7: toluene / 1.5 h / Heating

8: 8 N HCl / 0.17 h / Heating

9: methanol / 14 h / 20 °C

With hydrogenchloride; sodium azide; chloroformic acid ethyl ester; potassium carbonate; triethylamine; sodium chloride; In methanol; dichloromethane; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1021/jm00173a016

Reference yield:

: 130219-46-4
S-<(benzyloxy)carbonyl>-4-aminobenzenethiol

: 130031-50-4
Acridin-9-yl-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenylsulfanyl}-butyl)-amine

Guidance literature:: Multi-step reaction with 11 steps

1: 79 percent / AcOH / tetrahydrofuran / 336 h / 20 °C

2: 56 percent / NaOH / ethanol / 2 h / Heating

3: 74 percent / K₂CO₃ / methanol / 0.17 h / Heating

4: Et₃N / CH₂Cl₂ / 0.75 h / 0 °C

5: NaCl / dimethylformamide / 0.08 h / 120 °C

6: 96 percent / concd. HCl / 1.5 h / Heating

7: EtOCOCl, Et₃N / acetone / 0.17 h / -5 °C

8: aq. NaN₃ / acetone / 0.5 h / 0 °C

9: toluene / 1.5 h / Heating

10: 8 N HCl / 0.17 h / Heating

11: methanol / 14 h / 20 °C

With hydrogenchloride; sodium hydroxide; sodium azide; chloroformic acid ethyl ester; potassium carbonate; acetic acid; triethylamine; sodium chloride; In tetrahydrofuran; methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1021/jm00173a016

Reference yield:

: 130198-85-5
S-<(benzyloxy)carbonyl>-4-nitrobenzenethiol

: 130031-50-4
Acridin-9-yl-(4-{4-[bis-(2-chloro-ethyl)-amino]-phenylsulfanyl}-butyl)-amine

Guidance literature:: Multi-step reaction with 12 steps

1: 88 percent / SnCl₂*2H₂O / ethyl acetate / 4 h / Heating

2: 79 percent / AcOH / tetrahydrofuran / 336 h / 20 °C

3: 56 percent / NaOH / ethanol / 2 h / Heating

4: 74 percent / K₂CO₃ / methanol / 0.17 h / Heating

5: Et₃N / CH₂Cl₂ / 0.75 h / 0 °C

6: NaCl / dimethylformamide / 0.08 h / 120 °C

7: 96 percent / concd. HCl / 1.5 h / Heating

8: EtOCOCl, Et₃N / acetone / 0.17 h / -5 °C

9: aq. NaN₃ / acetone / 0.5 h / 0 °C

10: toluene / 1.5 h / Heating

11: 8 N HCl / 0.17 h / Heating

12: methanol / 14 h / 20 °C

With hydrogenchloride; sodium hydroxide; sodium azide; chloroformic acid ethyl ester; potassium carbonate; acetic acid; triethylamine; sodium chloride; tin(ll) chloride; In tetrahydrofuran; methanol; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1021/jm00173a016