1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]

Base Information

Chemical Name:1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
CAS No.:16331-96-7
Molecular Formula:C20H20 N2 O4
Molecular Weight:352.39
Hs Code.:
European Community (EC) Number:240-405-1
DSSTox Substance ID:DTXSID00936815
Nikkaji Number:J286.868G
Mol file:16331-96-7.mol

Synonyms:16331-96-7;Spiro[2H-1-benzopyran-2,2'-[2H]indole],1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-;5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole];1',3'-Dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-(2H)-indole];Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-;EINECS 240-405-1;1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole];5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole];1',3'-Dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole);Oprea1_118427;Oprea1_528493;SCHEMBL1890668;DTXSID00936815;MFCD00274627;STL326094;AKOS015898237;AS-74447;CS-0328596;J-010033;1,3,3-Trimethyl-5-methoxy-6'-nitrospiro[indoline-2,2'-[2H-1]benzopyran];5'-Methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indoline];1,3-Dihydro-5-methoxy-1,3,3-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2-(2H)-indole];5'-Methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[1-benzopyran-2,2'-indole]

Suppliers and Price of 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]

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

aablocks
Spiro[2H-1-benzopyran-2,2''-[2H]indole],1'',3''-dihydro-5''-methoxy-1'',3'',3''-trimethyl-6-nitro- 95%
250mg
$ 804.00

aablocks
Spiro[2H-1-benzopyran-2,2''-[2H]indole],1'',3''-dihydro-5''-methoxy-1'',3'',3''-trimethyl-6-nitro- 95%
25mg
$ 237.00

Total 9 raw suppliers

Chemical Property of 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]

Chemical Property:

Melting Point:134-136 °C(lit.)
Boiling Point:527.3°Cat760mmHg
PKA:3.16±0.40(Predicted)
Flash Point:272.7°C
PSA：67.52000
Density:1.32g/cm³
LogP:4.72110
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:352.14230712
Heavy Atom Count:26
Complexity:601

Purity/Quality:

99% ^*data from raw suppliers

Spiro[2H-1-benzopyran-2,2''-[2H]indole],1'',3''-dihydro-5''-methoxy-1'',3'',3''-trimethyl-6-nitro- 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1(C2=C(C=CC(=C2)OC)N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C

Technology Process of 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]

There total 10 articles about 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole] 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: 69.0%

: 57019-81-5
5-methoxy-1,2,3,3-tetramethyl-3H-indolium iodide

: 97-51-8
5-Nitrosalicylaldehyde

: 16331-96-7
1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2',2'-(2H)-indole]

Guidance literature:: With piperidine; In ethanol; for 18h; Reflux;
DOI:10.1021/acs.joc.6b01193

Reference yield: 54.0%

: 35976-46-6
1,3,3-trimethyl-5-methoxy-2-methyleneindoline

: 97-51-8
5-Nitrosalicylaldehyde

: 16331-96-7
1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2',2'-(2H)-indole]

Guidance literature:: In toluene; for 3h; Heating;
DOI:10.1021/jo062004d

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 16331-96-7
1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2',2'-(2H)-indole]

Guidance literature:: Multi-step reaction with 4 steps

1: 84 percent / ethanol / 5 h / Heating

2: 49 percent / acetonitrile / 24 h / Heating

3: 70 percent / potassium hydroxide / H₂O; acetonitrile / 1 h / 20 °C

4: 54 percent / toluene / 3 h / Heating

With potassium hydroxide; In ethanol; water; toluene; acetonitrile;
DOI:10.1021/jo062004d