MBDB (hydrochloride)

Base Information

Chemical Name:MBDB (hydrochloride)
CAS No.:128767-12-4
Molecular Formula:C₁₂H₁₇NO₂*ClH
Molecular Weight:243.733
Hs Code.:
European Community (EC) Number:802-949-3
UNII:32MEB99FFS
ChEMBL ID:CHEMBL3220668
DSSTox Substance ID:DTXSID40561483
Mol file:128767-12-4.mol

Synonyms:128767-12-4;MBDB (hydrochloride);d,l-MBDB.HCl;1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine;hydrochloride;[1-(2H-1,3-benzodioxol-5-yl)butan-2-yl](methyl)amine hydrochloride;((+/-))-N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butylamine hydrochloride (MBDB);MBDB hydrochloride;rac-MBDB HCl;rac-N-Methyl-1-(3,4-Methylenedioxyphenyl)-2-butanamine Hydrochloride;alpha-Ethyl-N-methyl-1,3-benzodioxole-5-ethanamine hydrochloride;1,3-Benzodioxole-5-ethanamine, ?-ethyl-N-methyl-, hydrochloride (1:1);1,3-Benzodioxole-5-ethanamine, ?-ethyl-N-methyl-, hydrochloride (9CI);Methyl-j hydrochloride;N-METHYL-1-(1,3-BENZODIOXOL-5-YL)-2-BUTANAMINE HYDROCHLORIDE;32MEB99FFS;CHEMBL3220668;DTXSID40561483;1ST1986A;N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine Hydrochloride;d,l-MBDB.HCl, 1mg/ml in Methanol;1,3-Benzodioxolyl-N-methylbutanamine hydrochloride;N-Methyl-1,3-benzodioxolylbutanamine hydrochloride;(+)-N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine hydrochloride;1,3-Benzodioxole-5-ethanamine, alpha-ethyl-N-methyl-, hydrochloride;3,4-Methylenedioxy-N-methyl-alpha-ethylphenylethylamine hydrochloride;1,3-Benzodioxole-5-ethanamine, alpha-ethyl-N-methyl-, hydrochloride (1:1);alpha-Ethyl-N-methyl-1,3-benzodioxole-5-ethanamine hydrochloride (1:1);(+/-)-N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine hydrochloride, solid;1-(2H-1,3-Benzodioxol-5-yl)-N-methylbutan-2-amine--hydrogen chloride (1/1);rac-MBDB HCl (rac-N-Methyl-1-(3,4-Methylene-dioxyphenyl)-2-butanamine Hydrochloride);rac-MBDB HCl (rac-N-Methyl-1-(3,4-Methylenedioxyphenyl)-2-butanamine Hydrochloride) 1.0 mg/ml in Methanol (as free base)

Suppliers and Price of MBDB (hydrochloride)

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

Sigma-Aldrich
(±)-MBDB hydrochloride
102-1ml
$ 49.00

Sigma-Aldrich
(±)-MBDB hydrochloride 1.0?mg/mLinmethanol(asfreebase),ampuleof1?mL,certifiedreferencemateri
1 mL
$ 49.00

Cayman Chemical
MBDB (hydrochloride) ≥95%
50mg
$ 275.00

Cayman Chemical
MBDB (hydrochloride) ≥95%
10mg
$ 93.00

Cayman Chemical
MBDB (hydrochloride) ≥95%
5mg
$ 49.00

AK Scientific
Rac-MBDBHCl
50mg
$ 471.00

Total 1 raw suppliers

Chemical Property of MBDB (hydrochloride)

Chemical Property:

Flash Point:9℃
PSA：30.49000
LogP:3.14870
Storage Temp.:2-8°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:243.1026065
Heavy Atom Count:16
Complexity:198

Purity/Quality:: (±)-MBDB hydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:F,T
Statements: 11-23/24/25-39/23/24/25
Safety Statements: 16-36/37-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CC1=CC2=C(C=C1)OCO2)NC.Cl
Uses MBDB ia an analog of MDMA (M303985). MBDB is the N-methylated derivative of BDB (B198900), a hallucinogenic Phenylethylamine derivative. BDB is more potent than MBDB. MBDB is a CNS stimulant.

Technology Process of MBDB (hydrochloride)

There total 7 articles about MBDB (hydrochloride) 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%

: 23023-13-4
1-(1,3-benzodioxol-5-yl)butan-2-one

: 74-89-5
methylamine

: 128767-12-4
1-(3,4-Methylenedioxyphenyl)-2-methylaminobutane hydrochloride

Guidance literature:: 1-(1,3-benzodioxol-5-yl)butan-2-one; methylamine; In methanol; at 20 ℃; for 0.5h;

With hydrogenchloride; sodium cyanoborohydride; In methanol; at 20 ℃; for 72h; pH=4 - 6; Further stages.;
DOI:10.1038/sj.bjp.0707473

Reference yield:

: 2635-13-4
1,2-(methylenedioxy)-4-bromobenzene

: 128767-12-4
1-(3,4-Methylenedioxyphenyl)-2-methylaminobutane hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: 1. Mg / 1..I₂ / 1. THF, 2. reflux, 30min

2: 75 percent / pyridine / acetone / 1.5 h / 0 °C

3: 19.16 g / LiAlH₄ / tetrahydrofuran / 1 h / Heating

4: 7 h / Heating

5: LiAlH₄, HCl / tetrahydrofuran / 1 h / Heating

With pyridine; hydrogenchloride; lithium aluminium tetrahydride; magnesium; iodine; In tetrahydrofuran; acetone;
DOI:10.1007/BF00960337

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 128767-12-4
1-(3,4-Methylenedioxyphenyl)-2-methylaminobutane hydrochloride

Guidance literature:: Multi-step reaction with 4 steps

1: 65 percent Spectr_. / i-BuNH₂ / acetic acid / 2 h / 50 °C / 7500600 Torr / other catalysts, other solvents, other pressures, other reaction times

2: 19.16 g / LiAlH₄ / tetrahydrofuran / 1 h / Heating

3: 7 h / Heating

4: LiAlH₄, HCl / tetrahydrofuran / 1 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; isobutylamine; In tetrahydrofuran; acetic acid;
DOI:10.1007/BF00960337